2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid

C10H12ClNO3 — CID 104816514

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO3/c1-12-9(10(13)14)8-6(11)4-3-5-7(8)15-2/h3-5,9,12H,1-2H3,(H,13,14)
InChIKeySGGHCIMSQQHATQ-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.69
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid

2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid (PubChem CID 104816514) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
PubChem CID104816514
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO3/c1-12-9(10(13)14)8-6(11)4-3-5-7(8)15-2/h3-5,9,12H,1-2H3,(H,13,14)
InChIKeySGGHCIMSQQHATQ-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)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-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
4-(2-chloro-6-methoxyphenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 104817908
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 104818478
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
4-chloro-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 103440294
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid (CID 104816514) is 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1c(Cl)cccc1OC.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid?
The InChIKey is SGGHCIMSQQHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-12-9(10(13)14)8-6(11)4-3-5-7(8)15-2/h3-5,9,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid?
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid has a molecular weight of 229.66 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 104816514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).