AB54915
102849-49-0 | (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54915
ChemicalName
(2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
CasNumber
102849-49-0
MolecularFormula
C8H13NO3
MolecularWeight
171.1937
MdlNumber
MFCD08272027
Smiles
CC[C@H](N1CCCC1=O)C(=O)O
Complexity
203
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AB54915
ChemicalName: (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
CasNumber: 102849-49-0
MolecularFormula: C8H13NO3
MolecularWeight: 171.1937
MdlNumber: MFCD08272027
Smiles: CC[C@H](N1CCCC1=O)C(=O)O
Complexity: 203
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AB54915
ChemicalName:
(2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
CasNumber:
102849-49-0
MolecularFormula:
C8H13NO3
MolecularWeight:
171.1937
MdlNumber:
MFCD08272027
Smiles:
CC[C@H](N1CCCC1=O)C(=O)O
Complexity:
203
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(C)(C)C)C(=O)O)OCc1ccccc1
Complexity: 316
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H](C(C)(C)C)C(=O)O)OCc1ccccc1
Complexity:
316
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@](C(=O)O)(CBr)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@](C(=O)O)(CBr)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB54918
ChemicalName: (S)-2-(Pyrrolidin-2-yl)propan-2-ol
CasNumber: 92053-25-3
MolecularFormula: C7H15NO
MolecularWeight: 129.2001
MdlNumber: MFCD11975452
Smiles: CC([C@@H]1CCCN1)(O)C
Complexity: 101
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AB54918
ChemicalName:
(S)-2-(Pyrrolidin-2-yl)propan-2-ol
CasNumber:
92053-25-3
MolecularFormula:
C7H15NO
MolecularWeight:
129.2001
MdlNumber:
MFCD11975452
Smiles:
CC([C@@H]1CCCN1)(O)C
Complexity:
101
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3