AB39701
30380-70-2 | 5-Oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB39701
ChemicalName
5-Oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CasNumber
30380-70-2
MolecularFormula
C13H15NO3
MolecularWeight
233.2631
MdlNumber
MFCD00973748
Smiles
OC(=O)C1CN(C(=O)C1)CCc1ccccc1
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AB39701
ChemicalName: 5-Oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CasNumber: 30380-70-2
MolecularFormula: C13H15NO3
MolecularWeight: 233.2631
MdlNumber: MFCD00973748
Smiles: OC(=O)C1CN(C(=O)C1)CCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AB39701
ChemicalName:
5-Oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CasNumber:
30380-70-2
MolecularFormula:
C13H15NO3
MolecularWeight:
233.2631
MdlNumber:
MFCD00973748
Smiles:
OC(=O)C1CN(C(=O)C1)CCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ncoc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ncoc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB39705
ChemicalName: 2-(Trifluoromethyl)phenylacetic acid
CasNumber: 3038-48-0
MolecularFormula: C9H7F3O2
MolecularWeight: 204.1459
MdlNumber: MFCD00004327
Smiles: OC(=O)Cc1ccccc1C(F)(F)F
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AB39705
ChemicalName:
2-(Trifluoromethyl)phenylacetic acid
CasNumber:
3038-48-0
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.1459
MdlNumber:
MFCD00004327
Smiles:
OC(=O)Cc1ccccc1C(F)(F)F
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FCCC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FCCC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__