2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid

C10H16O4 — CID 58718570

IUPAC2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid
SMILESCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C10H16O4/c1-14-9(13)7-10(6-8(11)12)4-2-3-5-10/h2-7H2,1H3,(H,11,12)
InChIKeyWMRCVFGWAKNFMD-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid

2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid (PubChem CID 58718570) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid
PubChem CID58718570
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid
SMILESCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C10H16O4/c1-14-9(13)7-10(6-8(11)12)4-2-3-5-10/h2-7H2,1H3,(H,11,12)
InChIKeyWMRCVFGWAKNFMD-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid (CID 58718570) is 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid is COC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid?
The InChIKey is WMRCVFGWAKNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-14-9(13)7-10(6-8(11)12)4-2-3-5-10/h2-7H2,1H3,(H,11,12).
What are the key properties of 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid?
2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 58718570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).