2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid

C11H14ClNO5 — CID 117441313

IUPAC2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(C(N)C(=O)O)c(OC)c1OC
InChIInChI=1S/C11H14ClNO5/c1-16-6-4-5(12)7(8(13)11(14)15)10(18-3)9(6)17-2/h4,8H,13H2,1-3H3,(H,14,15)
InChIKeyQBQBRXZIJQYNDW-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid

2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid (PubChem CID 117441313) has the molecular formula C11H14ClNO5 and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
PubChem CID117441313
Molecular FormulaC11H14ClNO5
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC Name2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(C(N)C(=O)O)c(OC)c1OC
InChIInChI=1S/C11H14ClNO5/c1-16-6-4-5(12)7(8(13)11(14)15)10(18-3)9(6)17-2/h4,8H,13H2,1-3H3,(H,14,15)
InChIKeyQBQBRXZIJQYNDW-UHFFFAOYSA-N
XLogP1.45
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)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-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
3-amino-3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propanoic acid
CID 117437001
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84794912
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid (CID 117441313) is 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid is COc1cc(Cl)c(C(N)C(=O)O)c(OC)c1OC.
What is the InChIKey of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid?
The InChIKey is QBQBRXZIJQYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5/c1-16-6-4-5(12)7(8(13)11(14)15)10(18-3)9(6)17-2/h4,8H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid?
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid has a molecular weight of 275.69 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 117441313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).