N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide

C13H17NO5 — CID 79021419

IUPACN-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CO)cc1=O)NC1CCCC1
InChIInChI=1S/C13H17NO5/c15-6-10-5-11(16)12(7-18-10)19-8-13(17)14-9-3-1-2-4-9/h5,7,9,15H,1-4,6,8H2,(H,14,17)
InChIKeyJRRHWDYRIMARRQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.57
Rot. Bonds5

About N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide

N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 79021419) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID79021419
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC NameN-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CO)cc1=O)NC1CCCC1
InChIInChI=1S/C13H17NO5/c15-6-10-5-11(16)12(7-18-10)19-8-13(17)14-9-3-1-2-4-9/h5,7,9,15H,1-4,6,8H2,(H,14,17)
InChIKeyJRRHWDYRIMARRQ-UHFFFAOYSA-N
XLogP0.57
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (CID 79021419) is N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CO)cc1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is JRRHWDYRIMARRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-6-10-5-11(16)12(7-18-10)19-8-13(17)14-9-3-1-2-4-9/h5,7,9,15H,1-4,6,8H2,(H,14,17).
What are the key properties of N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 267.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 79021419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).