2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid

C16H22N2O3 — CID 60722581

IUPAC2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
SMILESCC(NC(=O)CC1(CC(=O)O)CCCC1)c1ccncc1
InChIInChI=1S/C16H22N2O3/c1-12(13-4-8-17-9-5-13)18-14(19)10-16(11-15(20)21)6-2-3-7-16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyFGBMTPLDUYBBLW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.68
Rot. Bonds6

About 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 60722581) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
PubChem CID60722581
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
SMILESCC(NC(=O)CC1(CC(=O)O)CCCC1)c1ccncc1
InChIInChI=1S/C16H22N2O3/c1-12(13-4-8-17-9-5-13)18-14(19)10-16(11-15(20)21)6-2-3-7-16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyFGBMTPLDUYBBLW-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409906
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid (CID 60722581) is 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid is CC(NC(=O)CC1(CC(=O)O)CCCC1)c1ccncc1.
What is the InChIKey of 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is FGBMTPLDUYBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(13-4-8-17-9-5-13)18-14(19)10-16(11-15(20)21)6-2-3-7-16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 60722581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).