2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid

C16H18N2O6 — CID 70297290

IUPAC2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid
SMILESCC(=O)N(c1cccc(NC(=O)C(=O)O)c1C(=O)O)C1CCCC1
InChIInChI=1S/C16H18N2O6/c1-9(19)18(10-5-2-3-6-10)12-8-4-7-11(13(12)15(21)22)17-14(20)16(23)24/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,20)(H,21,22)(H,23,24)
InChIKeyOJCFRZYCPHXJMG-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.70
Rot. Bonds4

About 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid

2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid (PubChem CID 70297290) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid
PubChem CID70297290
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid
SMILESCC(=O)N(c1cccc(NC(=O)C(=O)O)c1C(=O)O)C1CCCC1
InChIInChI=1S/C16H18N2O6/c1-9(19)18(10-5-2-3-6-10)12-8-4-7-11(13(12)15(21)22)17-14(20)16(23)24/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,20)(H,21,22)(H,23,24)
InChIKeyOJCFRZYCPHXJMG-UHFFFAOYSA-N
XLogP1.70
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)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

N-(2-carboxyphenyl)glycine
CID 69161
N-(2-Methoxyacetate)-N-(2-carboxy-6-methylphenyl)-alanine (Mixture of Diastereomers)
CID 117065479
2-(Oxalyl-Amino)-Benzoic Acid
CID 444764
Oxalyl-aryl-amino benzoic acid-based inhibitor 2
CID 11827337
Novo Nordisk a/S Compound
CID 1829
2-Carboxyphenyliminodiacetic acid
CID 459325
N-Acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]3-isopropyl-N-pentylphenylalaninamide
CID 10864326
2,6-Bis(3-carboxyacrylamido)benzoic acid
CID 5861754
Benzoic acid, p-(2-aminoacetamido)-(6CI,7CI,8CI)
CID 82005
Benzoic acid, 2-((2-ethoxy-2-oxoacetyl)amino)-
CID 40082
2-{[4-(2-(S)-Acetylamino-2-pentylcarbamoylethyl)-phenyl]oxalylamino}benzoic Acid
CID 11733586
Oxalyl-aryl-amino benzoic acid-based inhibitor 8d
CID 23647192

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid?
The IUPAC name of 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid (CID 70297290) is 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid.
What is the SMILES notation for 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid?
The canonical SMILES for 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid is CC(=O)N(c1cccc(NC(=O)C(=O)O)c1C(=O)O)C1CCCC1.
What is the InChIKey of 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid?
The InChIKey is OJCFRZYCPHXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-9(19)18(10-5-2-3-6-10)12-8-4-7-11(13(12)15(21)22)17-14(20)16(23)24/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,20)(H,21,22)(H,23,24).
What are the key properties of 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid?
2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopentyl)amino]-6-(oxaloamino)benzoic acid is sourced from PubChem (CID 70297290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).