AA15143
1161787-87-6 | Boc-(+/-)-trans-4-(3-cyano-phenyl)-pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA15143
ChemicalName
Boc-(+/-)-trans-4-(3-cyano-phenyl)-pyrrolidine-3-carboxylic acid
CasNumber
1161787-87-6
MolecularFormula
C17H19N2O4
MolecularWeight
315.3438
MdlNumber
MFCD23701641
Smiles
N#Cc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Complexity
516
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AA15143
ChemicalName: Boc-(+/-)-trans-4-(3-cyano-phenyl)-pyrrolidine-3-carboxylic acid
CasNumber: 1161787-87-6
MolecularFormula: C17H19N2O4
MolecularWeight: 315.3438
MdlNumber: MFCD23701641
Smiles: N#Cc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Complexity: 516
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA15143
ChemicalName:
Boc-(+/-)-trans-4-(3-cyano-phenyl)-pyrrolidine-3-carboxylic acid
CasNumber:
1161787-87-6
MolecularFormula:
C17H19N2O4
MolecularWeight:
315.3438
MdlNumber:
MFCD23701641
Smiles:
N#Cc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Complexity:
516
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.9
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Smiles: COCc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Complexity: __
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Smiles:
COCc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#Cc1ccccc1[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
N#Cc1ccccc1[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C.Brc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C.Brc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__