2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid

C13H17NO5 — CID 63704808

IUPAC2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C)C(C)=O)c1OC
InChIInChI=1S/C13H17NO5/c1-8(15)14(2)11(13(16)17)9-6-5-7-10(18-3)12(9)19-4/h5-7,11H,1-4H3,(H,16,17)
InChIKeyATJSNYSCCGBEJU-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.31
Rot. Bonds5

About 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid

2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid (PubChem CID 63704808) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
PubChem CID63704808
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C)C(C)=O)c1OC
InChIInChI=1S/C13H17NO5/c1-8(15)14(2)11(13(16)17)9-6-5-7-10(18-3)12(9)19-4/h5-7,11H,1-4H3,(H,16,17)
InChIKeyATJSNYSCCGBEJU-UHFFFAOYSA-N
XLogP1.31
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63703746
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 84747604
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[acetyl(methyl)amino]-2-(2-bromo-4,5-dimethoxyphenyl)acetic acid
CID 63705069
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377839
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid (CID 63704808) is 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid is COc1cccc(C(C(=O)O)N(C)C(C)=O)c1OC.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The InChIKey is ATJSNYSCCGBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(15)14(2)11(13(16)17)9-6-5-7-10(18-3)12(9)19-4/h5-7,11H,1-4H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 63704808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).