2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid

C11H14ClNO4 — CID 117403292

IUPAC2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)c(C)c(Cl)c1OC
InChIInChI=1S/C11H14ClNO4/c1-5-6(9(13)11(14)15)4-7(16-2)10(17-3)8(5)12/h4,9H,13H2,1-3H3,(H,14,15)
InChIKeyGJMZQCOGNOHPMG-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid

2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid (PubChem CID 117403292) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
PubChem CID117403292
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)c(C)c(Cl)c1OC
InChIInChI=1S/C11H14ClNO4/c1-5-6(9(13)11(14)15)4-7(16-2)10(17-3)8(5)12/h4,9H,13H2,1-3H3,(H,14,15)
InChIKeyGJMZQCOGNOHPMG-UHFFFAOYSA-N
XLogP1.75
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid (CID 117403292) is 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid is COc1cc(C(N)C(=O)O)c(C)c(Cl)c1OC.
What is the InChIKey of 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid?
The InChIKey is GJMZQCOGNOHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-5-6(9(13)11(14)15)4-7(16-2)10(17-3)8(5)12/h4,9H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid?
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid has a molecular weight of 259.69 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid is sourced from PubChem (CID 117403292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).