4-amino-5-chloro-2-(methoxymethyl)benzoic acid

C9H10ClNO3 — CID 154204229

IUPAC4-amino-5-chloro-2-(methoxymethyl)benzoic acid
SMILESCOCc1cc(N)c(Cl)cc1C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-14-4-5-2-8(11)7(10)3-6(5)9(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyROVBHYCKMBYDBF-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.77
Rot. Bonds3

About 4-amino-5-chloro-2-(methoxymethyl)benzoic acid

4-amino-5-chloro-2-(methoxymethyl)benzoic acid (PubChem CID 154204229) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 4-amino-5-chloro-2-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-amino-5-chloro-2-(methoxymethyl)benzoic acid
PubChem CID154204229
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name4-amino-5-chloro-2-(methoxymethyl)benzoic acid
SMILESCOCc1cc(N)c(Cl)cc1C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-14-4-5-2-8(11)7(10)3-6(5)9(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyROVBHYCKMBYDBF-UHFFFAOYSA-N
XLogP1.77
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-2-(methoxymethyl)benzoic 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-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
CID 83894548
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
5-(2,2-dibromoethyl)-2,4-bis(methoxymethyl)benzoic acid
CID 174526749
4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid
CID 67894642
2-(bromomethyl)-5-chloro-4-methoxybenzoic acid
CID 171020349
1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone
CID 83893411
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 43380062
2-amino-4-[2-(methoxymethyl)anilino]benzoic acid
CID 104500392

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-(methoxymethyl)benzoic acid?
The IUPAC name of 4-amino-5-chloro-2-(methoxymethyl)benzoic acid (CID 154204229) is 4-amino-5-chloro-2-(methoxymethyl)benzoic acid.
What is the SMILES notation for 4-amino-5-chloro-2-(methoxymethyl)benzoic acid?
The canonical SMILES for 4-amino-5-chloro-2-(methoxymethyl)benzoic acid is COCc1cc(N)c(Cl)cc1C(=O)O.
What is the InChIKey of 4-amino-5-chloro-2-(methoxymethyl)benzoic acid?
The InChIKey is ROVBHYCKMBYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-14-4-5-2-8(11)7(10)3-6(5)9(12)13/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-5-chloro-2-(methoxymethyl)benzoic acid?
4-amino-5-chloro-2-(methoxymethyl)benzoic acid has a molecular weight of 215.64 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-(methoxymethyl)benzoic acid is sourced from PubChem (CID 154204229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).