(2R)-2-anilino-3-methylsulfanylpropanoic acid

C10H13NO2S — CID 89492967

IUPAC(2R)-2-anilino-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2S/c1-14-7-9(10(12)13)11-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOCRGEYXPCGKFOU-VIFPVBQESA-N
MW211.29 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-anilino-3-methylsulfanylpropanoic acid

(2R)-2-anilino-3-methylsulfanylpropanoic acid (PubChem CID 89492967) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2R)-2-anilino-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-anilino-3-methylsulfanylpropanoic acid
PubChem CID89492967
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2R)-2-anilino-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2S/c1-14-7-9(10(12)13)11-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOCRGEYXPCGKFOU-VIFPVBQESA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-anilino-3-methylsulfanylpropanoic 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 (2R)-2-anilino-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-anilino-3-methylsulfanylpropanoic acid (CID 89492967) is (2R)-2-anilino-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-anilino-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-anilino-3-methylsulfanylpropanoic acid is CSC[C@H](Nc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-anilino-3-methylsulfanylpropanoic acid?
The InChIKey is OCRGEYXPCGKFOU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14-7-9(10(12)13)11-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-anilino-3-methylsulfanylpropanoic acid?
(2R)-2-anilino-3-methylsulfanylpropanoic acid has a molecular weight of 211.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 89492967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).