3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

C11H12N2O6 — CID 61181802

IUPAC3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C11H12N2O6/c1-19-9(15)5-12-11(18)13-7-3-2-6(10(16)17)4-8(7)14/h2-4,14H,5H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyFHIYYVGGZQOQLS-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.38
Rot. Bonds4

About 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (PubChem CID 61181802) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
PubChem CID61181802
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C11H12N2O6/c1-19-9(15)5-12-11(18)13-7-3-2-6(10(16)17)4-8(7)14/h2-4,14H,5H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyFHIYYVGGZQOQLS-UHFFFAOYSA-N
XLogP0.38
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]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

3-hydroxy-4-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
CID 61201369
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybenzoic acid
CID 61202694
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367
5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63111670
4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid
CID 106238737
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]-3-hydroxybenzoic acid
CID 106239371
3-hydroxy-4-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523745
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
3-hydroxy-4-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63924927
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (CID 61181802) is 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is COC(=O)CNC(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The InChIKey is FHIYYVGGZQOQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c1-19-9(15)5-12-11(18)13-7-3-2-6(10(16)17)4-8(7)14/h2-4,14H,5H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid has a molecular weight of 268.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61181802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).