3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid

C11H13NO4 — CID 22132899

IUPAC3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
SMILESCOc1cccc(N(C)C(=O)CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-12(10(13)7-11(14)15)8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyADWBHPWQLXZEJC-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.13
Rot. Bonds4

About 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid

3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid (PubChem CID 22132899) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
PubChem CID22132899
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
SMILESCOc1cccc(N(C)C(=O)CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-12(10(13)7-11(14)15)8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyADWBHPWQLXZEJC-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3-methoxy-N-methylanilino)-3-oxopropanoic 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-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 62002684
2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
CID 101352571
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625
2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 66165933
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 80757234
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid?
The IUPAC name of 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid (CID 22132899) is 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid?
The canonical SMILES for 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid is COc1cccc(N(C)C(=O)CC(=O)O)c1.
What is the InChIKey of 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid?
The InChIKey is ADWBHPWQLXZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(10(13)7-11(14)15)8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid?
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid is sourced from PubChem (CID 22132899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).