2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid

C13H16N2O4 — CID 107209518

IUPAC2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=CCN(C)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-4-7-15(2)13(18)14-9-5-6-10(12(16)17)11(8-9)19-3/h4-6,8H,1,7H2,2-3H3,(H,14,18)(H,16,17)
InChIKeyZQMDVXLIGOEMNZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.04
Rot. Bonds5

About 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid

2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid (PubChem CID 107209518) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
PubChem CID107209518
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=CCN(C)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-4-7-15(2)13(18)14-9-5-6-10(12(16)17)11(8-9)19-3/h4-6,8H,1,7H2,2-3H3,(H,14,18)(H,16,17)
InChIKeyZQMDVXLIGOEMNZ-UHFFFAOYSA-N
XLogP2.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic 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-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209521
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318
2-[(3-fluoro-4-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276907
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
CID 107795694
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid (CID 107209518) is 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid is C=CCN(C)C(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The InChIKey is ZQMDVXLIGOEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-7-15(2)13(18)14-9-5-6-10(12(16)17)11(8-9)19-3/h4-6,8H,1,7H2,2-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 107209518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).