3-carbamoylbenzoic acid

C8H7NO3 — CID 3014284

IUPAC3-carbamoylbenzoic acid
SMILESNC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H7NO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyFVUKYCZRWSQGAS-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.48
Rot. Bonds2

About 3-carbamoylbenzoic acid

3-carbamoylbenzoic acid (PubChem CID 3014284) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-carbamoylbenzoic acid.

Molecular Properties

Compound Name3-carbamoylbenzoic acid
PubChem CID3014284
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name3-carbamoylbenzoic acid
SMILESNC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H7NO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyFVUKYCZRWSQGAS-UHFFFAOYSA-N
XLogP0.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-carbamoylbenzoic 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

benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;4-iodobenzamide
CID 175089771
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
3-(3-carboxybenzoyl)benzoic acid
CID 754396
benzene-1,3-dicarboxamide;hexanedioic acid
CID 175137558
benzene-1,3-dicarboxylic acid;dichlorotitanium
CID 22957310

Frequently Asked Questions

What is the IUPAC name of 3-carbamoylbenzoic acid?
The IUPAC name of 3-carbamoylbenzoic acid (CID 3014284) is 3-carbamoylbenzoic acid.
What is the SMILES notation for 3-carbamoylbenzoic acid?
The canonical SMILES for 3-carbamoylbenzoic acid is NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-carbamoylbenzoic acid?
The InChIKey is FVUKYCZRWSQGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of 3-carbamoylbenzoic acid?
3-carbamoylbenzoic acid has a molecular weight of 165.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoylbenzoic acid is sourced from PubChem (CID 3014284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).