2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride

C10H14ClNO3 — CID 71757982

IUPAC2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
SMILESCl.NC(CC(O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3.ClH/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7;/h1-5,8-9,12H,6,11H2,(H,13,14);1H
InChIKeyHCENOFSMNCAGEH-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride

2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride (PubChem CID 71757982) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
PubChem CID71757982
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
SMILESCl.NC(CC(O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3.ClH/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7;/h1-5,8-9,12H,6,11H2,(H,13,14);1H
InChIKeyHCENOFSMNCAGEH-UHFFFAOYSA-N
XLogP0.94
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-hydroxy-4-phenylbutanoic acid
CID 11997564
2-amino-4-phenylpentanoic acid;hydrochloride
CID 70445326
2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
CID 174962232
2-amino-4-(3-hydroxy-3-phenylpropyl)sulfanylbutanoic acid
CID 170770598
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
(2S)-2-aminopentanedioic acid;2-hydroxy-2-phenylacetic acid
CID 70362572
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid
CID 22848160
(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
CID 10339084

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride?
The IUPAC name of 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride (CID 71757982) is 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride?
The canonical SMILES for 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride is Cl.NC(CC(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride?
The InChIKey is HCENOFSMNCAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7;/h1-5,8-9,12H,6,11H2,(H,13,14);1H.
What are the key properties of 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride?
2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride is sourced from PubChem (CID 71757982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).