2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid

C19H32N2O4 — CID 59892194

IUPAC2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NCCN2CCCCC2=O)CCCC1)C(=O)O
InChIInChI=1S/C19H32N2O4/c1-2-7-15(17(23)24)14-19(9-4-5-10-19)18(25)20-11-13-21-12-6-3-8-16(21)22/h15H,2-14H2,1H3,(H,20,25)(H,23,24)
InChIKeyLYGZVUXKRXSPFB-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.57
Rot. Bonds9

About 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 59892194) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID59892194
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NCCN2CCCCC2=O)CCCC1)C(=O)O
InChIInChI=1S/C19H32N2O4/c1-2-7-15(17(23)24)14-19(9-4-5-10-19)18(25)20-11-13-21-12-6-3-8-16(21)22/h15H,2-14H2,1H3,(H,20,25)(H,23,24)
InChIKeyLYGZVUXKRXSPFB-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid (CID 59892194) is 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NCCN2CCCCC2=O)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is LYGZVUXKRXSPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-2-7-15(17(23)24)14-19(9-4-5-10-19)18(25)20-11-13-21-12-6-3-8-16(21)22/h15H,2-14H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 352.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-oxopiperidin-1-yl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 59892194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).