AB57920
5733-86-8 | 1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57920
ChemicalName
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CasNumber
5733-86-8
MolecularFormula
C12H13NO3
MolecularWeight
219.2365
MdlNumber
MFCD00085749
Smiles
OC(=O)C1CN(C(=O)C1)Cc1ccccc1
NscNumber
165809
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AB57920
ChemicalName: 1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CasNumber: 5733-86-8
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD00085749
Smiles: OC(=O)C1CN(C(=O)C1)Cc1ccccc1
NscNumber: 165809
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AB57920
ChemicalName:
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CasNumber:
5733-86-8
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD00085749
Smiles:
OC(=O)C1CN(C(=O)C1)Cc1ccccc1
NscNumber:
165809
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: AB57922
ChemicalName: 1-Benzylazetidin-3-ol
CasNumber: 54881-13-9
MolecularFormula: C10H13NO
MolecularWeight: 163.2163
MdlNumber: MFCD00963607
Smiles: OC1CN(C1)Cc1ccccc1
NscNumber: __
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
AB57922
ChemicalName:
1-Benzylazetidin-3-ol
CasNumber:
54881-13-9
MolecularFormula:
C10H13NO
MolecularWeight:
163.2163
MdlNumber:
MFCD00963607
Smiles:
OC1CN(C1)Cc1ccccc1
NscNumber:
__
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cn(c2c1cccc2)Cc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cn(c2c1cccc2)Cc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cn(c2c1cccc2)Cc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cn(c2c1cccc2)Cc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__