4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid

C16H16ClNO3 — CID 174362876

IUPAC4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid
SMILESNCC(O)(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c17-13-8-6-12(7-9-13)16(21,10-18)14(15(19)20)11-4-2-1-3-5-11/h1-9,14,21H,10,18H2,(H,19,20)
InChIKeyVOXIPJRTFDDCKT-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.35
Rot. Bonds5

About 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid

4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid (PubChem CID 174362876) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid
PubChem CID174362876
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid
SMILESNCC(O)(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c17-13-8-6-12(7-9-13)16(21,10-18)14(15(19)20)11-4-2-1-3-5-11/h1-9,14,21H,10,18H2,(H,19,20)
InChIKeyVOXIPJRTFDDCKT-UHFFFAOYSA-N
XLogP2.35
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
CID 62397630
3,3-dichloro-2-phenylbutanoic acid
CID 22472453
2-phenylethane-1,1,1,2-tetracarboxylic acid
CID 69124313
3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 70199608
N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 68967185
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
(4-chlorophenyl)methyl 3-amino-3-oxo-2-phenylpropanoate
CID 129239472
1-benzhydryl-4-chlorobenzene
CID 13050205
2-(3-chlorophenyl)-3-ethyl-3-hydroxypentanoic acid
CID 68853059
3-methyl-2,3-diphenylpentanedioic acid
CID 175851061

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid?
The IUPAC name of 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid (CID 174362876) is 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid is NCC(O)(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid?
The InChIKey is VOXIPJRTFDDCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-13-8-6-12(7-9-13)16(21,10-18)14(15(19)20)11-4-2-1-3-5-11/h1-9,14,21H,10,18H2,(H,19,20).
What are the key properties of 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid?
4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid has a molecular weight of 305.76 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid is sourced from PubChem (CID 174362876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).