AB56154
500770-79-6 | Boc-(s)-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56154
ChemicalName
Boc-(s)-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid
CasNumber
500770-79-6
MolecularFormula
C15H18F3NO4
MolecularWeight
333.3029
MdlNumber
MFCD03427927
Smiles
OC(=O)C[C@@H](c1ccc(cc1)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity
423
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.8
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CatalogNumber: AB56154
ChemicalName: Boc-(s)-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid
CasNumber: 500770-79-6
MolecularFormula: C15H18F3NO4
MolecularWeight: 333.3029
MdlNumber: MFCD03427927
Smiles: OC(=O)C[C@@H](c1ccc(cc1)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity: 423
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.8
CatalogNumber:
AB56154
ChemicalName:
Boc-(s)-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid
CasNumber:
500770-79-6
MolecularFormula:
C15H18F3NO4
MolecularWeight:
333.3029
MdlNumber:
MFCD03427927
Smiles:
OC(=O)C[C@@H](c1ccc(cc1)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity:
423
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](c1ccc(cc1)C)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](c1ccc(cc1)C)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
Complexity: 331
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
Complexity:
331
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6