3-amino-2-methoxybenzoic acid

C8H9NO3 — CID 19849158

IUPAC3-amino-2-methoxybenzoic acid
SMILESCOc1c(N)cccc1C(=O)O
InChIInChI=1S/C8H9NO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChIKeyZBQFWVIYNLHFMO-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-2-methoxybenzoic acid

3-amino-2-methoxybenzoic acid (PubChem CID 19849158) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-amino-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-amino-2-methoxybenzoic acid
PubChem CID19849158
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-amino-2-methoxybenzoic acid
SMILESCOc1c(N)cccc1C(=O)O
InChIInChI=1S/C8H9NO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChIKeyZBQFWVIYNLHFMO-UHFFFAOYSA-N
XLogP0.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
3-amino-2-aminooxybenzoic acid
CID 54335840
CID 175079027
CID 175079027
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
3-amino-2-(1-carboxyethoxy)benzoic acid
CID 107077529
(3-amino-2-methoxyphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211013
CID 87085306
CID 87085306
3-amino-2-(2-hydroxy-2-methylpropanoyl)oxybenzoic acid
CID 117095958
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943
2-amino-3-methoxyterephthalic acid
CID 132516468
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
CID 140688179

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxybenzoic acid?
The IUPAC name of 3-amino-2-methoxybenzoic acid (CID 19849158) is 3-amino-2-methoxybenzoic acid.
What is the SMILES notation for 3-amino-2-methoxybenzoic acid?
The canonical SMILES for 3-amino-2-methoxybenzoic acid is COc1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-methoxybenzoic acid?
The InChIKey is ZBQFWVIYNLHFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-2-methoxybenzoic acid?
3-amino-2-methoxybenzoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxybenzoic acid is sourced from PubChem (CID 19849158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).