3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid

C9H14O3 — CID 83816190

IUPAC3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1C(=O)CCC1C(=O)O
InChIInChI=1S/C9H14O3/c1-5(2)8-6(9(11)12)3-4-7(8)10/h5-6,8H,3-4H2,1-2H3,(H,11,12)
InChIKeyHNTVOAMGUJJZGO-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.32
Rot. Bonds2

About 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid

3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 83816190) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID83816190
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1C(=O)CCC1C(=O)O
InChIInChI=1S/C9H14O3/c1-5(2)8-6(9(11)12)3-4-7(8)10/h5-6,8H,3-4H2,1-2H3,(H,11,12)
InChIKeyHNTVOAMGUJJZGO-UHFFFAOYSA-N
XLogP1.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 14379837
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040
7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058003
(1R,2S,3R)-3-ethyl-2-methyl-4-oxocyclohexane-1-carboxylic acid
CID 130777487
7-methyl-3-oxo-1,2,3a,4,5,7a-hexahydroindene-4-carboxylic acid
CID 121221612
trans-(2S,3S)-2-methyl-3-propanoylcyclopentan-1-one
CID 91694790
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
3,5-dioxo-2-(1-trimethylsilylethyl)cyclohexane-1-carboxylic acid
CID 70386667
4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 75089010
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
trans-(1S,2S)-2-methoxy-3-oxocyclohexane-1-carboxylic acid
CID 10773514
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid (CID 83816190) is 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid is CC(C)C1C(=O)CCC1C(=O)O.
What is the InChIKey of 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is HNTVOAMGUJJZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5(2)8-6(9(11)12)3-4-7(8)10/h5-6,8H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid?
3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 83816190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).