2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid

C16H21NO3 — CID 61070370

IUPAC2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C(=O)CC1(CC(=O)O)CCCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-17(13-7-3-2-4-8-13)14(18)11-16(12-15(19)20)9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3,(H,19,20)
InChIKeyLZINNQXQYYXEMT-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.07
Rot. Bonds5

About 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61070370) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61070370
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C(=O)CC1(CC(=O)O)CCCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-17(13-7-3-2-4-8-13)14(18)11-16(12-15(19)20)9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3,(H,19,20)
InChIKeyLZINNQXQYYXEMT-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071318
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 104678092
2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61422945
2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071498
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167198
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 65460575

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61070370) is 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid is CN(C(=O)CC1(CC(=O)O)CCCC1)c1ccccc1.
What is the InChIKey of 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is LZINNQXQYYXEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(13-7-3-2-4-8-13)14(18)11-16(12-15(19)20)9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).