4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid

C13H16N2O6 — CID 43117185

IUPAC4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCNC(=O)NC(=O)C(C)Oc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H16N2O6/c1-7(11(16)15-13(19)14-2)21-10-6-8(12(17)18)4-5-9(10)20-3/h4-7H,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyBBGIMGZWCHHTSN-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.62
Rot. Bonds5

About 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid

4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid (PubChem CID 43117185) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
PubChem CID43117185
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCNC(=O)NC(=O)C(C)Oc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H16N2O6/c1-7(11(16)15-13(19)14-2)21-10-6-8(12(17)18)4-5-9(10)20-3/h4-7H,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyBBGIMGZWCHHTSN-UHFFFAOYSA-N
XLogP0.62
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic 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-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
4-methoxy-3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 79726276
methyl 3-bromo-4-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 25467110
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
2-(5-carbamothioyl-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 107656615
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 46626776
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
3-bromo-4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61317730
4-[1-(butylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43113701
3,4-dimethoxybenzoic acid;methanol
CID 144580050
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The IUPAC name of 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid (CID 43117185) is 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The canonical SMILES for 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid is CNC(=O)NC(=O)C(C)Oc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The InChIKey is BBGIMGZWCHHTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-7(11(16)15-13(19)14-2)21-10-6-8(12(17)18)4-5-9(10)20-3/h4-7H,1-3H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid has a molecular weight of 296.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 43117185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).