6-carbamoyl-2,3-dimethoxybenzoic acid

C10H11NO5 — CID 90976735

IUPAC6-carbamoyl-2,3-dimethoxybenzoic acid
SMILESCOc1ccc(C(N)=O)c(C(=O)O)c1OC
InChIInChI=1S/C10H11NO5/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H2,11,12)(H,13,14)
InChIKeyGTCMRECPPNFKLU-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.50
Rot. Bonds4

About 6-carbamoyl-2,3-dimethoxybenzoic acid

6-carbamoyl-2,3-dimethoxybenzoic acid (PubChem CID 90976735) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-carbamoyl-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name6-carbamoyl-2,3-dimethoxybenzoic acid
PubChem CID90976735
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name6-carbamoyl-2,3-dimethoxybenzoic acid
SMILESCOc1ccc(C(N)=O)c(C(=O)O)c1OC
InChIInChI=1S/C10H11NO5/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H2,11,12)(H,13,14)
InChIKeyGTCMRECPPNFKLU-UHFFFAOYSA-N
XLogP0.50
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-carbamoyl-2,3-dimethoxybenzoic 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

6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
2,3-dimethoxybenzamide;hydrate
CID 141005510
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
CID 22420303
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148

Frequently Asked Questions

What is the IUPAC name of 6-carbamoyl-2,3-dimethoxybenzoic acid?
The IUPAC name of 6-carbamoyl-2,3-dimethoxybenzoic acid (CID 90976735) is 6-carbamoyl-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 6-carbamoyl-2,3-dimethoxybenzoic acid?
The canonical SMILES for 6-carbamoyl-2,3-dimethoxybenzoic acid is COc1ccc(C(N)=O)c(C(=O)O)c1OC.
What is the InChIKey of 6-carbamoyl-2,3-dimethoxybenzoic acid?
The InChIKey is GTCMRECPPNFKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 6-carbamoyl-2,3-dimethoxybenzoic acid?
6-carbamoyl-2,3-dimethoxybenzoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoyl-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 90976735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).