3-(3-methoxyanilino)propanoic acid

C10H13NO3 — CID 17244971

IUPAC3-(3-methoxyanilino)propanoic acid
SMILESCOc1cccc(NCCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-14-9-4-2-3-8(7-9)11-6-5-10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChIKeyGXUUIWAHDCGIFS-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.58
Rot. Bonds5

About 3-(3-methoxyanilino)propanoic acid

3-(3-methoxyanilino)propanoic acid (PubChem CID 17244971) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyanilino)propanoic acid
PubChem CID17244971
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(3-methoxyanilino)propanoic acid
SMILESCOc1cccc(NCCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-14-9-4-2-3-8(7-9)11-6-5-10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChIKeyGXUUIWAHDCGIFS-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyanilino)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 3-(3-methoxyanilino)propanoic acid?
The IUPAC name of 3-(3-methoxyanilino)propanoic acid (CID 17244971) is 3-(3-methoxyanilino)propanoic acid.
What is the SMILES notation for 3-(3-methoxyanilino)propanoic acid?
The canonical SMILES for 3-(3-methoxyanilino)propanoic acid is COc1cccc(NCCC(=O)O)c1.
What is the InChIKey of 3-(3-methoxyanilino)propanoic acid?
The InChIKey is GXUUIWAHDCGIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-9-4-2-3-8(7-9)11-6-5-10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-(3-methoxyanilino)propanoic acid?
3-(3-methoxyanilino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)propanoic acid is sourced from PubChem (CID 17244971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).