AB48318
78553-51-2 | (S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48318
ChemicalName
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
CasNumber
78553-51-2
MolecularFormula
C13H15NO4
MolecularWeight
249.2625
MdlNumber
MFCD02094548
Smiles
C=CC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity
297
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.2
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CatalogNumber: AB48318
ChemicalName: (S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
CasNumber: 78553-51-2
MolecularFormula: C13H15NO4
MolecularWeight: 249.2625
MdlNumber: MFCD02094548
Smiles: C=CC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.2
CatalogNumber:
AB48318
ChemicalName:
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
CasNumber:
78553-51-2
MolecularFormula:
C13H15NO4
MolecularWeight:
249.2625
MdlNumber:
MFCD02094548
Smiles:
C=CC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.2
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Smiles: [O-][N+](=O)c1cc(C)c(cc1C)C(=O)O
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Smiles:
[O-][N+](=O)c1cc(C)c(cc1C)C(=O)O
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Smiles: CCCCCC[n+]1ccccc1.[Br-]
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Smiles:
CCCCCC[n+]1ccccc1.[Br-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(C(=O)O)C
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Smiles:
CC(C(=O)O)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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