(2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid

C15H15NO3 — CID 15383887

IUPAC(2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C15H15NO3/c17-13-8-6-11(7-9-13)10-14(15(18)19)16-12-4-2-1-3-5-12/h1-9,14,16-17H,10H2,(H,18,19)/t14-/m0/s1
InChIKeyCFXNKUQKTLJOBT-AWEZNQCLSA-N
MW257.29 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid

(2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 15383887) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid
PubChem CID15383887
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C15H15NO3/c17-13-8-6-11(7-9-13)10-14(15(18)19)16-12-4-2-1-3-5-12/h1-9,14,16-17H,10H2,(H,18,19)/t14-/m0/s1
InChIKeyCFXNKUQKTLJOBT-AWEZNQCLSA-N
XLogP2.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic 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-anilino-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid (CID 15383887) is (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid is O=C(O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1.
What is the InChIKey of (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is CFXNKUQKTLJOBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13-8-6-11(7-9-13)10-14(15(18)19)16-12-4-2-1-3-5-12/h1-9,14,16-17H,10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid?
(2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 15383887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).