AI16282
1251004-07-5 | Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16282
ChemicalName
Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester
CasNumber
1251004-07-5
MolecularFormula
C12H20N2O3
MolecularWeight
240.2988
MdlNumber
MFCD12198662
Smiles
O=C1NC[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity
335
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AI16282
ChemicalName: Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester
CasNumber: 1251004-07-5
MolecularFormula: C12H20N2O3
MolecularWeight: 240.2988
MdlNumber: MFCD12198662
Smiles: O=C1NC[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 335
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AI16282
ChemicalName:
Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester
CasNumber:
1251004-07-5
MolecularFormula:
C12H20N2O3
MolecularWeight:
240.2988
MdlNumber:
MFCD12198662
Smiles:
O=C1NC[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: O=C(N1CCC2(CC1)c1ccccc1NC2C(F)(F)F)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CCC2(CC1)c1ccccc1NC2C(F)(F)F)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: O=C1C[C@H]2[C@@H]1CN(CC2)C(=O)OC(C)(C)C
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__
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MolecularFormula:
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Smiles:
O=C1C[C@H]2[C@@H]1CN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: N1CCn2c(CC1)cnc2
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MdlNumber:
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Smiles:
N1CCn2c(CC1)cnc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__