AA29818
1251003-89-0 | Cis-4-oxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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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
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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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
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
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
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
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Smiles: O=C(N1CCc2c(C1)c(=O)[nH]c1c2c(C)no1)OCc1ccccc1
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Smiles:
O=C(N1CCc2c(C1)c(=O)[nH]c1c2c(C)no1)OCc1ccccc1
Complexity:
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__
DefinedAtomStereocenterCount:
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Smiles: OC(=O)C1CC2(C1)CCN(C2)C(=O)OC(C)(C)C
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Smiles:
OC(=O)C1CC2(C1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(N1CC2(C1)CC(C2)CC(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2(C1)CC(C2)CC(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__