2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid

C16H22N2O3 — CID 60833811

IUPAC2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C1CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-17(13-7-3-2-4-8-13)15(19)11-18(12-16(20)21)14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,20,21)
InChIKeyMEBPAAHFGNBHSO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds6

About 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid

2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 60833811) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID60833811
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C1CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-17(13-7-3-2-4-8-13)15(19)11-18(12-16(20)21)14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,20,21)
InChIKeyMEBPAAHFGNBHSO-UHFFFAOYSA-N
XLogP1.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic 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

2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[2-[cyclopentyl(methyl)amino]anilino]-N-methyl-N-phenylacetamide
CID 71849650
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
CID 60516192
3-[cyclopentyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113137275
N-methyl-N-phenyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921695
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
CID 111332362
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid (CID 60833811) is 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid is CN(C(=O)CN(CC(=O)O)C1CCCC1)c1ccccc1.
What is the InChIKey of 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is MEBPAAHFGNBHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(13-7-3-2-4-8-13)15(19)11-18(12-16(20)21)14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60833811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).