2-(3-acetamido-2-methylphenyl)acetic acid

C11H13NO3 — CID 84819235

IUPAC2-(3-acetamido-2-methylphenyl)acetic acid
SMILESCC(=O)Nc1cccc(CC(=O)O)c1C
InChIInChI=1S/C11H13NO3/c1-7-9(6-11(14)15)4-3-5-10(7)12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKGKSIBDCUSHCKQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-acetamido-2-methylphenyl)acetic acid

2-(3-acetamido-2-methylphenyl)acetic acid (PubChem CID 84819235) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetamido-2-methylphenyl)acetic acid
PubChem CID84819235
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(3-acetamido-2-methylphenyl)acetic acid
SMILESCC(=O)Nc1cccc(CC(=O)O)c1C
InChIInChI=1S/C11H13NO3/c1-7-9(6-11(14)15)4-3-5-10(7)12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKGKSIBDCUSHCKQ-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983
N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide
CID 70601262
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
CID 134019127
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
CID 82507361

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylphenyl)acetic acid?
The IUPAC name of 2-(3-acetamido-2-methylphenyl)acetic acid (CID 84819235) is 2-(3-acetamido-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-acetamido-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-acetamido-2-methylphenyl)acetic acid is CC(=O)Nc1cccc(CC(=O)O)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylphenyl)acetic acid?
The InChIKey is KGKSIBDCUSHCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-9(6-11(14)15)4-3-5-10(7)12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-acetamido-2-methylphenyl)acetic acid?
2-(3-acetamido-2-methylphenyl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylphenyl)acetic acid is sourced from PubChem (CID 84819235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).