AB15078
188527-21-1 | 1-(Benzyloxycarbonyl)pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB15078
ChemicalName
1-(Benzyloxycarbonyl)pyrrolidine-3-carboxylic acid
CasNumber
188527-21-1
MolecularFormula
C13H15NO4
MolecularWeight
249.2625
MdlNumber
MFCD02179036
Smiles
OC(=O)C1CCN(C1)C(=O)OCc1ccccc1
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AB15078
ChemicalName: 1-(Benzyloxycarbonyl)pyrrolidine-3-carboxylic acid
CasNumber: 188527-21-1
MolecularFormula: C13H15NO4
MolecularWeight: 249.2625
MdlNumber: MFCD02179036
Smiles: OC(=O)C1CCN(C1)C(=O)OCc1ccccc1
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AB15078
ChemicalName:
1-(Benzyloxycarbonyl)pyrrolidine-3-carboxylic acid
CasNumber:
188527-21-1
MolecularFormula:
C13H15NO4
MolecularWeight:
249.2625
MdlNumber:
MFCD02179036
Smiles:
OC(=O)C1CCN(C1)C(=O)OCc1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
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Smiles: Clc1ncnc(c1)N1CCN(CC1)Cc1ccccc1
Complexity: __
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Smiles:
Clc1ncnc(c1)N1CCN(CC1)Cc1ccccc1
Complexity:
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Smiles: O=C(N1CCC(CC1)Sc1ccc(cc1)Br)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CCC(CC1)Sc1ccc(cc1)Br)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1c[nH]cc1c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c[nH]cc1c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__