AB13531
192214-00-9 | (S)-1-Cbz-pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB13531
ChemicalName
(S)-1-Cbz-pyrrolidine-3-carboxylic acid
CasNumber
192214-00-9
MolecularFormula
C13H15NO4
MolecularWeight
249.2625
MdlNumber
MFCD09608053
Smiles
OC(=O)[C@H]1CCN(C1)C(=O)OCc1ccccc1
Complexity
312
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AB13531
ChemicalName: (S)-1-Cbz-pyrrolidine-3-carboxylic acid
CasNumber: 192214-00-9
MolecularFormula: C13H15NO4
MolecularWeight: 249.2625
MdlNumber: MFCD09608053
Smiles: OC(=O)[C@H]1CCN(C1)C(=O)OCc1ccccc1
Complexity: 312
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AB13531
ChemicalName:
(S)-1-Cbz-pyrrolidine-3-carboxylic acid
CasNumber:
192214-00-9
MolecularFormula:
C13H15NO4
MolecularWeight:
249.2625
MdlNumber:
MFCD09608053
Smiles:
OC(=O)[C@H]1CCN(C1)C(=O)OCc1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])S(=O)(=O)Cl)[N+](=O)[O-])S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])S(=O)(=O)Cl)[N+](=O)[O-])S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1cc(cc2c1-c1c(C2)cc(cc1[N+](=O)[O-])S(=O)(=O)Cl)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
[O-][N+](=O)c1cc(cc2c1-c1c(C2)cc(cc1[N+](=O)[O-])S(=O)(=O)Cl)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)N)I
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)N)I
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__