AA91565
173340-19-7 | (3S)-5-Oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA91565
ChemicalName
(3S)-5-Oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CasNumber
173340-19-7
MolecularFormula
C13H15NO3
MolecularWeight
233.2631
MdlNumber
MFCD03427553
Smiles
C[C@H](N1C[C@H](CC1=O)C(=O)O)c1ccccc1
Complexity
310
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AA91565
ChemicalName: (3S)-5-Oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CasNumber: 173340-19-7
MolecularFormula: C13H15NO3
MolecularWeight: 233.2631
MdlNumber: MFCD03427553
Smiles: C[C@H](N1C[C@H](CC1=O)C(=O)O)c1ccccc1
Complexity: 310
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AA91565
ChemicalName:
(3S)-5-Oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CasNumber:
173340-19-7
MolecularFormula:
C13H15NO3
MolecularWeight:
233.2631
MdlNumber:
MFCD03427553
Smiles:
C[C@H](N1C[C@H](CC1=O)C(=O)O)c1ccccc1
Complexity:
310
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
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Smiles: NC[C@H]1CCC(=O)N1
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NC[C@H]1CCC(=O)N1
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Smiles: NCCC(=O)N1CCOCC1.Cl
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Smiles:
NCCC(=O)N1CCOCC1.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NCCS(=O)(=O)CC
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCCS(=O)(=O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__