AB52589
790667-49-1 | (2S)-2-Methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB52589
ChemicalName
(2S)-2-Methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CasNumber
790667-49-1
MolecularFormula
C11H19NO3
MolecularWeight
213.27346
MdlNumber
MFCD09832895
Smiles
O=C1CCN([C@H](C1)C)C(=O)OC(C)(C)C
Complexity
268
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB52589
ChemicalName: (2S)-2-Methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CasNumber: 790667-49-1
MolecularFormula: C11H19NO3
MolecularWeight: 213.27346
MdlNumber: MFCD09832895
Smiles: O=C1CCN([C@H](C1)C)C(=O)OC(C)(C)C
Complexity: 268
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB52589
ChemicalName:
(2S)-2-Methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CasNumber:
790667-49-1
MolecularFormula:
C11H19NO3
MolecularWeight:
213.27346
MdlNumber:
MFCD09832895
Smiles:
O=C1CCN([C@H](C1)C)C(=O)OC(C)(C)C
Complexity:
268
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AB52590
ChemicalName: A-366
CasNumber: 1527503-11-2
MolecularFormula: C19H27N3O2
MolecularWeight: 329.4366
MdlNumber: MFCD28133403
Smiles: COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N
Complexity: 471
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2.2
CatalogNumber:
AB52590
ChemicalName:
A-366
CasNumber:
1527503-11-2
MolecularFormula:
C19H27N3O2
MolecularWeight:
329.4366
MdlNumber:
MFCD28133403
Smiles:
COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N
Complexity:
471
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C([C@@H]1CCCCN1)Nc1c(C)cccc1C
Complexity: 257
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C([C@@H]1CCCCN1)Nc1c(C)cccc1C
Complexity:
257
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ncc2c(c1)[nH]nc2
Complexity: 105
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ncc2c(c1)[nH]nc2
Complexity:
105
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5