2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid

C17H24N2O3 — CID 11652422

IUPAC2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2ccccn2)CCCC1)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-2-7-13(15(20)21)12-17(9-4-5-10-17)16(22)19-14-8-3-6-11-18-14/h3,6,8,11,13H,2,4-5,7,9-10,12H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyYOYJZQJCZYIVFI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.47
Rot. Bonds7

About 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid

2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid (PubChem CID 11652422) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid
PubChem CID11652422
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2ccccn2)CCCC1)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-2-7-13(15(20)21)12-17(9-4-5-10-17)16(22)19-14-8-3-6-11-18-14/h3,6,8,11,13H,2,4-5,7,9-10,12H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyYOYJZQJCZYIVFI-UHFFFAOYSA-N
XLogP3.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid (CID 11652422) is 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)Nc2ccccn2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
The InChIKey is YOYJZQJCZYIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-7-13(15(20)21)12-17(9-4-5-10-17)16(22)19-14-8-3-6-11-18-14/h3,6,8,11,13H,2,4-5,7,9-10,12H2,1H3,(H,20,21)(H,18,19,22).
What are the key properties of 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid?
2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(pyridin-2-ylcarbamoyl)cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).