2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid

C9H9N3O3 — CID 175360709

IUPAC2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid
SMILESCOc1cc2n[nH]nc2cc1CC(=O)O
InChIInChI=1S/C9H9N3O3/c1-15-8-4-7-6(10-12-11-7)2-5(8)3-9(13)14/h2,4H,3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyWOWXLMCPOCBYKO-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.59
Rot. Bonds3

About 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid

2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid (PubChem CID 175360709) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid
PubChem CID175360709
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid
SMILESCOc1cc2n[nH]nc2cc1CC(=O)O
InChIInChI=1S/C9H9N3O3/c1-15-8-4-7-6(10-12-11-7)2-5(8)3-9(13)14/h2,4H,3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyWOWXLMCPOCBYKO-UHFFFAOYSA-N
XLogP0.59
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxy-2H-benzotriazol-5-yl)acetic 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

2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
2-(4-bromo-5-cyano-2-methoxyphenyl)acetic acid
CID 131321390
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid (CID 175360709) is 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid is COc1cc2n[nH]nc2cc1CC(=O)O.
What is the InChIKey of 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid?
The InChIKey is WOWXLMCPOCBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-8-4-7-6(10-12-11-7)2-5(8)3-9(13)14/h2,4H,3H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid?
2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid is sourced from PubChem (CID 175360709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).