4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid

C15H19NO3 — CID 20982029

IUPAC4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
SMILESCC(=O)N(Cc1ccc(C(=O)O)cc1)C1CCCC1
InChIInChI=1S/C15H19NO3/c1-11(17)16(14-4-2-3-5-14)10-12-6-8-13(9-7-12)15(18)19/h6-9,14H,2-5,10H2,1H3,(H,18,19)
InChIKeyJLGGYDTYLDFYGX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.68
Rot. Bonds4

About 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid

4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid (PubChem CID 20982029) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
PubChem CID20982029
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
SMILESCC(=O)N(Cc1ccc(C(=O)O)cc1)C1CCCC1
InChIInChI=1S/C15H19NO3/c1-11(17)16(14-4-2-3-5-14)10-12-6-8-13(9-7-12)15(18)19/h6-9,14H,2-5,10H2,1H3,(H,18,19)
InChIKeyJLGGYDTYLDFYGX-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[acetyl(cyclopentyl)amino]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-[[cyclopentyl(diethylcarbamoyl)amino]methyl]benzoic acid
CID 160816137
4-[[[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]carbamoylamino]methyl]benzoic acid
CID 122085075
4-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzoic acid
CID 119179256
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
CID 59607069
4-[[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 81369065
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
CID 105360749
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
4-[[[cyclopropyl(propyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61195843
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
CID 138805610

Frequently Asked Questions

What is the IUPAC name of 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid (CID 20982029) is 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid is CC(=O)N(Cc1ccc(C(=O)O)cc1)C1CCCC1.
What is the InChIKey of 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid?
The InChIKey is JLGGYDTYLDFYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)16(14-4-2-3-5-14)10-12-6-8-13(9-7-12)15(18)19/h6-9,14H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid?
4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid is sourced from PubChem (CID 20982029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).