2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C14H23NO4 — CID 4644103

IUPAC2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC(O)CC2)CCCC1
InChIInChI=1S/C14H23NO4/c16-11-3-7-15(8-4-11)12(17)9-14(10-13(18)19)5-1-2-6-14/h11,16H,1-10H2,(H,18,19)
InChIKeyPCTMSOXVTQUHLZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.39
Rot. Bonds4

About 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 4644103) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID4644103
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC(O)CC2)CCCC1
InChIInChI=1S/C14H23NO4/c16-11-3-7-15(8-4-11)12(17)9-14(10-13(18)19)5-1-2-6-14/h11,16H,1-10H2,(H,18,19)
InChIKeyPCTMSOXVTQUHLZ-UHFFFAOYSA-N
XLogP1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 4644103) is 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCC(O)CC2)CCCC1.
What is the InChIKey of 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is PCTMSOXVTQUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-11-3-7-15(8-4-11)12(17)9-14(10-13(18)19)5-1-2-6-14/h11,16H,1-10H2,(H,18,19).
What are the key properties of 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 4644103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).