2-(3-methoxyanilino)acetic acid;hydrochloride

C9H12ClNO3 — CID 138040070

IUPAC2-(3-methoxyanilino)acetic acid;hydrochloride
SMILESCOc1cccc(NCC(=O)O)c1.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-13-8-4-2-3-7(5-8)10-6-9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H
InChIKeyIJJMZDSREJHCMY-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.61
Rot. Bonds4

About 2-(3-methoxyanilino)acetic acid;hydrochloride

2-(3-methoxyanilino)acetic acid;hydrochloride (PubChem CID 138040070) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-(3-methoxyanilino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyanilino)acetic acid;hydrochloride
PubChem CID138040070
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name2-(3-methoxyanilino)acetic acid;hydrochloride
SMILESCOc1cccc(NCC(=O)O)c1.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-13-8-4-2-3-7(5-8)10-6-9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H
InChIKeyIJJMZDSREJHCMY-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxyanilino)acetic 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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methoxyanilino)acetic acid;hydrochloride (CID 138040070) is 2-(3-methoxyanilino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methoxyanilino)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methoxyanilino)acetic acid;hydrochloride is COc1cccc(NCC(=O)O)c1.Cl.
What is the InChIKey of 2-(3-methoxyanilino)acetic acid;hydrochloride?
The InChIKey is IJJMZDSREJHCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.ClH/c1-13-8-4-2-3-7(5-8)10-6-9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H.
What are the key properties of 2-(3-methoxyanilino)acetic acid;hydrochloride?
2-(3-methoxyanilino)acetic acid;hydrochloride has a molecular weight of 217.65 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)acetic acid;hydrochloride is sourced from PubChem (CID 138040070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).