2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid

C15H20N2O3 — CID 64676889

IUPAC2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)CC2(N)CCCC2)c1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-5-4-6-11(13(10)14(19)20)17-12(18)9-15(16)7-2-3-8-15/h4-6H,2-3,7-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMCLWQZARFKBFQQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.29
Rot. Bonds4

About 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid

2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid (PubChem CID 64676889) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
PubChem CID64676889
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)CC2(N)CCCC2)c1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-5-4-6-11(13(10)14(19)20)17-12(18)9-15(16)7-2-3-8-15/h4-6H,2-3,7-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMCLWQZARFKBFQQ-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic 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-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890
2-(1-aminocyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 64683534
2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111331876
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-acetamido-6-methylbenzoic acid
CID 2801400
ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79854988
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
2-(1-aminocyclopentyl)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 64685240

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid?
The IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid (CID 64676889) is 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)CC2(N)CCCC2)c1C(=O)O.
What is the InChIKey of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid?
The InChIKey is MCLWQZARFKBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-4-6-11(13(10)14(19)20)17-12(18)9-15(16)7-2-3-8-15/h4-6H,2-3,7-9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid?
2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid is sourced from PubChem (CID 64676889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).