(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid

C11H14O4 — CID 139906283

IUPAC(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
SMILESO=C(O)[C@@H](O)CCCc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c12-9-6-4-8(5-7-9)2-1-3-10(13)11(14)15/h4-7,10,12-13H,1-3H2,(H,14,15)/t10-/m0/s1
InChIKeyGVRKLSKWMWKFMZ-JTQLQIEISA-N
MW210.23 g/mol
LogP1.16
Rot. Bonds5

About (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid

(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid (PubChem CID 139906283) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
PubChem CID139906283
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
SMILESO=C(O)[C@@H](O)CCCc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c12-9-6-4-8(5-7-9)2-1-3-10(13)11(14)15/h4-7,10,12-13H,1-3H2,(H,14,15)/t10-/m0/s1
InChIKeyGVRKLSKWMWKFMZ-JTQLQIEISA-N
XLogP1.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid?
The IUPAC name of (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid (CID 139906283) is (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid?
The canonical SMILES for (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid is O=C(O)[C@@H](O)CCCc1ccc(O)cc1.
What is the InChIKey of (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid?
The InChIKey is GVRKLSKWMWKFMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O4/c12-9-6-4-8(5-7-9)2-1-3-10(13)11(14)15/h4-7,10,12-13H,1-3H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid?
(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid is sourced from PubChem (CID 139906283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).