AB52388
927679-54-7 | (1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52388
ChemicalName
(1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber
927679-54-7
MolecularFormula
C11H17NO4
MolecularWeight
227.257
MdlNumber
MFCD12198680
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: AB52388
ChemicalName: (1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber: 927679-54-7
MolecularFormula: C11H17NO4
MolecularWeight: 227.257
MdlNumber: MFCD12198680
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:
AB52388
ChemicalName:
(1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber:
927679-54-7
MolecularFormula:
C11H17NO4
MolecularWeight:
227.257
MdlNumber:
MFCD12198680
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: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Oc1cc2c(=O)nc[nH]c2cc1O
Complexity: __
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__
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Smiles:
Oc1cc2c(=O)nc[nH]c2cc1O
Complexity:
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Smiles: Oc1cnc2n(c1)ncc2Br
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Smiles:
Oc1cnc2n(c1)ncc2Br
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
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__
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Smiles: OC(=O)c1ccc(c2c1ccnc2)Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccc(c2c1ccnc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__