2-anilino-2-hydroxypropanoic acid

C9H11NO3 — CID 159388558

IUPAC2-anilino-2-hydroxypropanoic acid
SMILESCC(O)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-9(13,8(11)12)10-7-5-3-2-4-6-7/h2-6,10,13H,1H3,(H,11,12)
InChIKeyPTHRCDREYFGENW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.89
Rot. Bonds3

About 2-anilino-2-hydroxypropanoic acid

2-anilino-2-hydroxypropanoic acid (PubChem CID 159388558) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-anilino-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-anilino-2-hydroxypropanoic acid
PubChem CID159388558
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-anilino-2-hydroxypropanoic acid
SMILESCC(O)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-9(13,8(11)12)10-7-5-3-2-4-6-7/h2-6,10,13H,1H3,(H,11,12)
InChIKeyPTHRCDREYFGENW-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-anilino-2-hydroxypropanoic 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 2-anilino-2-hydroxypropanoic acid?
The IUPAC name of 2-anilino-2-hydroxypropanoic acid (CID 159388558) is 2-anilino-2-hydroxypropanoic acid.
What is the SMILES notation for 2-anilino-2-hydroxypropanoic acid?
The canonical SMILES for 2-anilino-2-hydroxypropanoic acid is CC(O)(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-anilino-2-hydroxypropanoic acid?
The InChIKey is PTHRCDREYFGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-9(13,8(11)12)10-7-5-3-2-4-6-7/h2-6,10,13H,1H3,(H,11,12).
What are the key properties of 2-anilino-2-hydroxypropanoic acid?
2-anilino-2-hydroxypropanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-hydroxypropanoic acid is sourced from PubChem (CID 159388558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).