AI50179
4193-42-4 | 5-Oxo-pyrrolidine-2-carboxylic acid o-tolylamide
Manufacturer: A2B Chem
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CatalogNumber
AI50179
ChemicalName
5-Oxo-pyrrolidine-2-carboxylic acid o-tolylamide
CasNumber
4193-42-4
MolecularFormula
C12H14N2O2
MolecularWeight
218.2518
MdlNumber
MFCD00852350
Smiles
O=C1CCC(N1)C(=O)Nc1ccccc1C
Complexity
291
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AI50179
ChemicalName: 5-Oxo-pyrrolidine-2-carboxylic acid o-tolylamide
CasNumber: 4193-42-4
MolecularFormula: C12H14N2O2
MolecularWeight: 218.2518
MdlNumber: MFCD00852350
Smiles: O=C1CCC(N1)C(=O)Nc1ccccc1C
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AI50179
ChemicalName:
5-Oxo-pyrrolidine-2-carboxylic acid o-tolylamide
CasNumber:
4193-42-4
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.2518
MdlNumber:
MFCD00852350
Smiles:
O=C1CCC(N1)C(=O)Nc1ccccc1C
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
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Smiles: O=C1N(Cc2c(C)n[nH]c2C)C(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=C1N(Cc2c(C)n[nH]c2C)C(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: [K+].[I-].[I-].[I-].[I-].[Bi+3]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[K+].[I-].[I-].[I-].[I-].[Bi+3]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])C)C)O)C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])C)C)O)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__