4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid

C15H20N2O3 — CID 64686468

IUPAC4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid
SMILESCC1(NC(=O)NCc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C15H20N2O3/c1-15(8-2-3-9-15)17-14(20)16-10-11-4-6-12(7-5-11)13(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJTQXCWPLONLDBY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds4

About 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid

4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid (PubChem CID 64686468) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid
PubChem CID64686468
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid
SMILESCC1(NC(=O)NCc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C15H20N2O3/c1-15(8-2-3-9-15)17-14(20)16-10-11-4-6-12(7-5-11)13(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJTQXCWPLONLDBY-UHFFFAOYSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]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

4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
CID 122020828
4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
3-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]benzoic acid
CID 64686662
2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325267
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
4-[[[1-(ethylcarbamoyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
CID 122011714
4-[(2-methylprop-1-enylcarbamoylamino)methyl]benzoic acid
CID 108909915
4-[(3-methylbutylcarbamoylamino)methyl]benzoic acid
CID 61184226
4-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]benzoic acid
CID 82938801
4-[[(3-tert-butylcyclobutyl)carbamoylamino]methyl]benzoic acid
CID 122015420
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid?
The IUPAC name of 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid (CID 64686468) is 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid is CC1(NC(=O)NCc2ccc(C(=O)O)cc2)CCCC1.
What is the InChIKey of 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid?
The InChIKey is JTQXCWPLONLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(8-2-3-9-15)17-14(20)16-10-11-4-6-12(7-5-11)13(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid?
4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid is sourced from PubChem (CID 64686468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).