2-(1-ethylcyclopentyl)-2-oxoacetic acid

C9H14O3 — CID 66611187

IUPAC2-(1-ethylcyclopentyl)-2-oxoacetic acid
SMILESCCC1(C(=O)C(=O)O)CCCC1
InChIInChI=1S/C9H14O3/c1-2-9(5-3-4-6-9)7(10)8(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyAQSCVTGFVYETAO-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.61
Rot. Bonds3

About 2-(1-ethylcyclopentyl)-2-oxoacetic acid

2-(1-ethylcyclopentyl)-2-oxoacetic acid (PubChem CID 66611187) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(1-ethylcyclopentyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1-ethylcyclopentyl)-2-oxoacetic acid
PubChem CID66611187
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(1-ethylcyclopentyl)-2-oxoacetic acid
SMILESCCC1(C(=O)C(=O)O)CCCC1
InChIInChI=1S/C9H14O3/c1-2-9(5-3-4-6-9)7(10)8(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyAQSCVTGFVYETAO-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-ethylcyclopentane-1-carboxamide
CID 55285008
1-(1-ethylcyclopentyl)prop-2-yn-1-one
CID 114978540
3-ethyl-1,1-dioxothiane-3-carboxylic acid
CID 84779128
1-(1-ethylcyclopentyl)-2-methoxyethanone
CID 115783356
3-(1-ethylcyclohexyl)-3-oxopropanenitrile
CID 13234261
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-ethyl-2-hydroxybutyl)cycloheptane-1-carboxylic acid
CID 114497612
1-(1-ethylcyclopentyl)-4,4-dimethylpentan-1-one
CID 114970040
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
trans-(1S,3R)-1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 155226353
1-(2-hydroxy-2-methylbutyl)cycloheptane-1-carboxylic acid
CID 114497614

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopentyl)-2-oxoacetic acid?
The IUPAC name of 2-(1-ethylcyclopentyl)-2-oxoacetic acid (CID 66611187) is 2-(1-ethylcyclopentyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(1-ethylcyclopentyl)-2-oxoacetic acid?
The canonical SMILES for 2-(1-ethylcyclopentyl)-2-oxoacetic acid is CCC1(C(=O)C(=O)O)CCCC1.
What is the InChIKey of 2-(1-ethylcyclopentyl)-2-oxoacetic acid?
The InChIKey is AQSCVTGFVYETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-9(5-3-4-6-9)7(10)8(11)12/h2-6H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethylcyclopentyl)-2-oxoacetic acid?
2-(1-ethylcyclopentyl)-2-oxoacetic acid has a molecular weight of 170.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopentyl)-2-oxoacetic acid is sourced from PubChem (CID 66611187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).