AA29815
1251004-87-1 | 2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA29815
ChemicalName
2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CasNumber
1251004-87-1
MolecularFormula
C11H17NO4
MolecularWeight
227.257
MdlNumber
MFCD17016465
Smiles
O=C(N1CCC2C1(C2)C(=O)O)OC(C)(C)C
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AA29815
ChemicalName: 2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CasNumber: 1251004-87-1
MolecularFormula: C11H17NO4
MolecularWeight: 227.257
MdlNumber: MFCD17016465
Smiles: O=C(N1CCC2C1(C2)C(=O)O)OC(C)(C)C
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AA29815
ChemicalName:
2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CasNumber:
1251004-87-1
MolecularFormula:
C11H17NO4
MolecularWeight:
227.257
MdlNumber:
MFCD17016465
Smiles:
O=C(N1CCC2C1(C2)C(=O)O)OC(C)(C)C
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC2C1CCCN2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2C1CCCN2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA29817
ChemicalName: Racemic cis-4,6-dioxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
CasNumber: 1251003-99-2
MolecularFormula: C11H16N2O4
MolecularWeight: 240.25573999999995
MdlNumber: MFCD12198658
Smiles: O=C(N1C[C@@H]2[C@H](C1)C(=O)NC2=O)OC(C)(C)C
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: -0.3
CatalogNumber:
AA29817
ChemicalName:
Racemic cis-4,6-dioxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
CasNumber:
1251003-99-2
MolecularFormula:
C11H16N2O4
MolecularWeight:
240.25573999999995
MdlNumber:
MFCD12198658
Smiles:
O=C(N1C[C@@H]2[C@H](C1)C(=O)NC2=O)OC(C)(C)C
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.3
CatalogNumber: AA29818
ChemicalName: Cis-4-oxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
CasNumber: 1251003-89-0
MolecularFormula: C11H18N2O3
MolecularWeight: 226.2722
MdlNumber: MFCD12198657
Smiles: O=C(N1C[C@H]2[C@@H](C1)CNC2=O)OC(C)(C)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
AA29818
ChemicalName:
Cis-4-oxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
CasNumber:
1251003-89-0
MolecularFormula:
C11H18N2O3
MolecularWeight:
226.2722
MdlNumber:
MFCD12198657
Smiles:
O=C(N1C[C@H]2[C@@H](C1)CNC2=O)OC(C)(C)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2