2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid

C14H18N2O3 — CID 64851456

IUPAC2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)C2CCCC2N)c1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-8-4-2-7-11(12(8)14(18)19)16-13(17)9-5-3-6-10(9)15/h2,4,7,9-10H,3,5-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyYYGGYKUYZXQZBB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid

2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid (PubChem CID 64851456) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid
PubChem CID64851456
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)C2CCCC2N)c1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-8-4-2-7-11(12(8)14(18)19)16-13(17)9-5-3-6-10(9)15/h2,4,7,9-10H,3,5-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyYYGGYKUYZXQZBB-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
2-(cyclopent-3-ene-1-carbonylamino)-6-methylbenzoic acid
CID 64766478
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
2-acetamido-6-methylbenzoic acid
CID 2801400
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide
CID 64824839

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid (CID 64851456) is 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)C2CCCC2N)c1C(=O)O.
What is the InChIKey of 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid?
The InChIKey is YYGGYKUYZXQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-4-2-7-11(12(8)14(18)19)16-13(17)9-5-3-6-10(9)15/h2,4,7,9-10H,3,5-6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid?
2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 64851456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).