AB56050
96219-55-5 | (S)-2-(2-Oxopyrrolidin-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56050
ChemicalName
(S)-2-(2-Oxopyrrolidin-1-yl)propanoic acid
CasNumber
96219-55-5
MolecularFormula
C7H11NO3
MolecularWeight
157.1671
MdlNumber
MFCD16879061
Smiles
OC(=O)[C@@H](N1CCCC1=O)C
Complexity
190
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AB56050
ChemicalName: (S)-2-(2-Oxopyrrolidin-1-yl)propanoic acid
CasNumber: 96219-55-5
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD16879061
Smiles: OC(=O)[C@@H](N1CCCC1=O)C
Complexity: 190
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB56050
ChemicalName:
(S)-2-(2-Oxopyrrolidin-1-yl)propanoic acid
CasNumber:
96219-55-5
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD16879061
Smiles:
OC(=O)[C@@H](N1CCCC1=O)C
Complexity:
190
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: AB56051
ChemicalName: (2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber: 22161-81-5
MolecularFormula: C16H14O3
MolecularWeight: 254.2806
MdlNumber: MFCD00673316
Smiles: OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity: 331
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AB56051
ChemicalName:
(2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber:
22161-81-5
MolecularFormula:
C16H14O3
MolecularWeight:
254.2806
MdlNumber:
MFCD00673316
Smiles:
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity:
331
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
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Smiles: O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Fc1cccc(c1)[C@@H]1CCCN1
Complexity: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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Smiles:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Fc1cccc(c1)[C@@H]1CCCN1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__