3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid

C14H19NO4 — CID 117417062

IUPAC3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1cccc(CC(C)(C)C(=O)O)c1NC(C)=O
InChIInChI=1S/C14H19NO4/c1-9(16)15-12-10(6-5-7-11(12)19-4)8-14(2,3)13(17)18/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyIYNJWACIFUGHBU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.31
Rot. Bonds5

About 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid

3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117417062) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID117417062
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1cccc(CC(C)(C)C(=O)O)c1NC(C)=O
InChIInChI=1S/C14H19NO4/c1-9(16)15-12-10(6-5-7-11(12)19-4)8-14(2,3)13(17)18/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyIYNJWACIFUGHBU-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
3-(2-acetamido-6-chloro-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117482668
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
CID 117445145
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117345111
N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide
CID 105497913
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900026
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117362174
3-(2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461941

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid (CID 117417062) is 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid is COc1cccc(CC(C)(C)C(=O)O)c1NC(C)=O.
What is the InChIKey of 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is IYNJWACIFUGHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(16)15-12-10(6-5-7-11(12)19-4)8-14(2,3)13(17)18/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid?
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117417062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).