1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 115433360

IUPAC1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(NCC2(C(=O)O)CCCC2)ccc1C(N)=O
InChIInChI=1S/C15H20N2O3/c1-10-8-11(4-5-12(10)13(16)18)17-9-15(14(19)20)6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyRCDLXTOIPVQWRB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds5

About 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid

1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433360) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
PubChem CID115433360
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(NCC2(C(=O)O)CCCC2)ccc1C(N)=O
InChIInChI=1S/C15H20N2O3/c1-10-8-11(4-5-12(10)13(16)18)17-9-15(14(19)20)6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyRCDLXTOIPVQWRB-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic 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

1-[(2-carbamoyl-5-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433325
2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid
CID 113311118
1-[(4-methoxy-3,5-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242776
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methylbenzoic acid
CID 115455537
1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309120
4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
CID 114384441
1-[(4-bromo-2-carbamoylanilino)methyl]cyclobutane-1-carboxylic acid
CID 114890256
4-[2-(ethylamino)ethylamino]-2-methylbenzamide
CID 81279586

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid (CID 115433360) is 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid is Cc1cc(NCC2(C(=O)O)CCCC2)ccc1C(N)=O.
What is the InChIKey of 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RCDLXTOIPVQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-11(4-5-12(10)13(16)18)17-9-15(14(19)20)6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid?
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).