AA99159
176439-44-4 | (2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA99159
ChemicalName
(2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylic acid
CasNumber
176439-44-4
MolecularFormula
C12H14N2O3
MolecularWeight
234.2512
MdlNumber
MFCD03788065
Smiles
N[C@H]1C[C@H](N(C1)C(=O)c1ccccc1)C(=O)O
Complexity
313
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-2
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CatalogNumber: AA99159
ChemicalName: (2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylic acid
CasNumber: 176439-44-4
MolecularFormula: C12H14N2O3
MolecularWeight: 234.2512
MdlNumber: MFCD03788065
Smiles: N[C@H]1C[C@H](N(C1)C(=O)c1ccccc1)C(=O)O
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -2
CatalogNumber:
AA99159
ChemicalName:
(2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylic acid
CasNumber:
176439-44-4
MolecularFormula:
C12H14N2O3
MolecularWeight:
234.2512
MdlNumber:
MFCD03788065
Smiles:
N[C@H]1C[C@H](N(C1)C(=O)c1ccccc1)C(=O)O
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(O)cnc1Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(O)cnc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(cnc1Cl)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(cnc1Cl)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA99168
ChemicalName: 2,5-Dichloropyridine-3-carbaldehyde
CasNumber: 176433-49-1
MolecularFormula: C6H3Cl2NO
MolecularWeight: 176.0001
MdlNumber: MFCD08056627
Smiles: O=Cc1cc(Cl)cnc1Cl
Complexity: 131
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AA99168
ChemicalName:
2,5-Dichloropyridine-3-carbaldehyde
CasNumber:
176433-49-1
MolecularFormula:
C6H3Cl2NO
MolecularWeight:
176.0001
MdlNumber:
MFCD08056627
Smiles:
O=Cc1cc(Cl)cnc1Cl
Complexity:
131
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.9