AA54147
1217736-39-4 | (R)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54147
ChemicalName
(R)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CasNumber
1217736-39-4
MolecularFormula
C12H13NO3
MolecularWeight
219.2365
MdlNumber
MFCD09749831
Smiles
OC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1
Complexity
284
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AA54147
ChemicalName: (R)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CasNumber: 1217736-39-4
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD09749831
Smiles: OC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1
Complexity: 284
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AA54147
ChemicalName:
(R)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CasNumber:
1217736-39-4
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD09749831
Smiles:
OC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1
Complexity:
284
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: OCC1(C)CCC(CC1C)C
Complexity: __
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Smiles:
OCC1(C)CCC(CC1C)C
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C(F)(F)F
Complexity: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularWeight: __
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Smiles: O=C(N1CCC[C@]1(Cc1ccc(c(c1)Cl)Cl)C(=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC[C@]1(Cc1ccc(c(c1)Cl)Cl)C(=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__