AA46845
132153-48-1 | 3-(4-Bromophenyl)-2-(BOC-amino)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA46845
ChemicalName
3-(4-Bromophenyl)-2-(BOC-amino)propanoic acid
CasNumber
132153-48-1
MolecularFormula
C14H18BrNO4
MolecularWeight
344.2010199999999
MdlNumber
MFCD02682256
Smiles
OC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)OC(C)(C)C
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AA46845
ChemicalName: 3-(4-Bromophenyl)-2-(BOC-amino)propanoic acid
CasNumber: 132153-48-1
MolecularFormula: C14H18BrNO4
MolecularWeight: 344.2010199999999
MdlNumber: MFCD02682256
Smiles: OC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)OC(C)(C)C
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AA46845
ChemicalName:
3-(4-Bromophenyl)-2-(BOC-amino)propanoic acid
CasNumber:
132153-48-1
MolecularFormula:
C14H18BrNO4
MolecularWeight:
344.2010199999999
MdlNumber:
MFCD02682256
Smiles:
OC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)OC(C)(C)C
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O/N=C1/O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O/N=C1/O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC1OC(=NOC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC1OC(=NOC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1OC(=NO)C(C([C@@H]1O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1OC(=NO)C(C([C@@H]1O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__