AA62097
1401464-07-0 | (1R,5S,6S)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA62097
ChemicalName
(1R,5S,6S)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber
1401464-07-0
MolecularFormula
C11H17NO4
MolecularWeight
227.257
MdlNumber
MFCD12198805
Smiles
O=C(N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)O)OC(C)(C)C
Complexity
321
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AA62097
ChemicalName: (1R,5S,6S)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber: 1401464-07-0
MolecularFormula: C11H17NO4
MolecularWeight: 227.257
MdlNumber: MFCD12198805
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)O)OC(C)(C)C
Complexity: 321
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AA62097
ChemicalName:
(1R,5S,6S)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber:
1401464-07-0
MolecularFormula:
C11H17NO4
MolecularWeight:
227.257
MdlNumber:
MFCD12198805
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)O)OC(C)(C)C
Complexity:
321
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
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Smiles: NCCc1ccnc(c1)OC.Cl
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Smiles:
NCCc1ccnc(c1)OC.Cl
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Smiles: CN1CCC(CC1)c1ccccc1CC(Nc1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)(C)C
Complexity: __
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Smiles:
CN1CCC(CC1)c1ccccc1CC(Nc1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cn1ncc(c1)C1(N)CC1.Cl.Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cn1ncc(c1)C1(N)CC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__