AA29817
1251003-99-2 | Racemic cis-4,6-dioxo-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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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
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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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
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
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
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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
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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O=C(N1CCc2c(C1)c(=O)[nH]c1c2c(C)no1)OCc1ccccc1
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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
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__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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