AV18211
1272757-50-2 | (3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Manufacturer: A2B Chem
CAS Number: 1272757-50-2
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Catalog Number
AV18211
Chemical Name
(3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Cas Number
1272757-50-2
Molecular Formula
C13H20FNO4
Molecular Weight
273.3006
Mdl Number
MFCD17016697
Smiles
OC(=O)[C@@H]1C2CCC(N1C(=O)OC(C)(C)C)C[C@@H]2F
Complexity
393
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Heavy Atom Count
19
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Rotatable Bond Count
3
Undefined Atom Stereocenter Count
2
Xlogp3
2.1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | (3S,5S)-5-Fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid | ChemScene | ₹ 94,458.24 |
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Catalog Number: AV18211
Chemical Name: (3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Cas Number: 1272757-50-2
Molecular Formula: C13H20FNO4
Molecular Weight: 273.3006
Mdl Number: MFCD17016697
Smiles: OC(=O)[C@@H]1C2CCC(N1C(=O)OC(C)(C)C)C[C@@H]2F
Complexity: 393
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 3
Undefined Atom Stereocenter Count: 2
Xlogp3: 2.1
Catalog Number:
AV18211
Chemical Name:
(3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Cas Number:
1272757-50-2
Molecular Formula:
C13H20FNO4
Molecular Weight:
273.3006
Mdl Number:
MFCD17016697
Smiles:
OC(=O)[C@@H]1C2CCC(N1C(=O)OC(C)(C)C)C[C@@H]2F
Complexity:
393
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
3
Undefined Atom Stereocenter Count:
2
Xlogp3:
2.1
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: CCOc1ccc2c(c1)CC(=O)N2Cc1ccccc1
Complexity: 338
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: 2.8
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
CCOc1ccc2c(c1)CC(=O)N2Cc1ccccc1
Complexity:
338
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
2.8
Catalog Number: AV18213
Chemical Name: 2-N-cyclopentylbenzene-1,2-diamine
Cas Number: 600725-69-7
Molecular Formula: C11H16N2
Molecular Weight: 176.2581
Mdl Number: MFCD10695050
Smiles: Nc1ccccc1NC1CCCC1
Complexity: 152
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: __
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 2
Rotatable Bond Count: 2
Undefined Atom Stereocenter Count: __
Xlogp3: 2.5
Catalog Number:
AV18213
Chemical Name:
2-N-cyclopentylbenzene-1,2-diamine
Cas Number:
600725-69-7
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
Mdl Number:
MFCD10695050
Smiles:
Nc1ccccc1NC1CCCC1
Complexity:
152
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Rotatable Bond Count:
2
Undefined Atom Stereocenter Count:
__
Xlogp3:
2.5
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: NNC(=O)C1(C)CCN(CC1)C(=O)OC(C)(C)C
Complexity: 328
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: 0.5
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
NNC(=O)C1(C)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
328
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
0.5