AB46095
60298-18-2 | 5-Oxo-pyrrolidine-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB46095
ChemicalName
5-Oxo-pyrrolidine-3-carboxylic acid ethyl ester
CasNumber
60298-18-2
MolecularFormula
C7H11NO3
MolecularWeight
157.1671
MdlNumber
MFCD08274999
Smiles
CCOC(=O)C1CNC(=O)C1
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AB46095
ChemicalName: 5-Oxo-pyrrolidine-3-carboxylic acid ethyl ester
CasNumber: 60298-18-2
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD08274999
Smiles: CCOC(=O)C1CNC(=O)C1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AB46095
ChemicalName:
5-Oxo-pyrrolidine-3-carboxylic acid ethyl ester
CasNumber:
60298-18-2
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD08274999
Smiles:
CCOC(=O)C1CNC(=O)C1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: AB46096
ChemicalName: Ethyl 6-aminonicotinate
CasNumber: 39658-41-8
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD04972544
Smiles: CCOC(=O)c1ccc(nc1)N
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
AB46096
ChemicalName:
Ethyl 6-aminonicotinate
CasNumber:
39658-41-8
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD04972544
Smiles:
CCOC(=O)c1ccc(nc1)N
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=N)C.Cl
Complexity: 51.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=N)C.Cl
Complexity:
51.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NCC(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NCC(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__