2-(2-butyl-3-oxocyclopentyl)propanoic acid

C12H20O3 — CID 154943990

IUPAC2-(2-butyl-3-oxocyclopentyl)propanoic acid
SMILESCCCCC1C(=O)CCC1C(C)C(=O)O
InChIInChI=1S/C12H20O3/c1-3-4-5-10-9(6-7-11(10)13)8(2)12(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZJEKXXQTFXCUTQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.49
Rot. Bonds5

About 2-(2-butyl-3-oxocyclopentyl)propanoic acid

2-(2-butyl-3-oxocyclopentyl)propanoic acid (PubChem CID 154943990) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-butyl-3-oxocyclopentyl)propanoic acid.

Molecular Properties

Compound Name2-(2-butyl-3-oxocyclopentyl)propanoic acid
PubChem CID154943990
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(2-butyl-3-oxocyclopentyl)propanoic acid
SMILESCCCCC1C(=O)CCC1C(C)C(=O)O
InChIInChI=1S/C12H20O3/c1-3-4-5-10-9(6-7-11(10)13)8(2)12(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZJEKXXQTFXCUTQ-UHFFFAOYSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
CID 22797030
(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate
CID 140557115
2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid
CID 172723721
methyl 2-[(1S,2S)-2-butyl-3-oxocyclopentyl]acetate
CID 154944016
3-oxo-2-pentylcyclopentane-1-carboxylate
CID 21443730
methyl 7-[(1S,2R)-2-(1-hydroxyoctyl)-5-oxocyclopentyl]heptanoate
CID 70635296
ethane;3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CID 90787158
propan-2-yl 7-[(1R,2S)-2-hexyl-5-oxocyclopentyl]heptanoate
CID 22797039
(3-oxo-2-pentylcyclopentyl) pentanoate
CID 91315520
2-[(1R,2R)-2-[(4S)-4-hydroxypentyl]-3-oxocyclopentyl]acetic acid
CID 163089479
7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid
CID 25207345
6-[(1R,2S)-2-(3-aminooctyl)-5-oxocyclopentyl]hexanoic acid
CID 18594831

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-3-oxocyclopentyl)propanoic acid?
The IUPAC name of 2-(2-butyl-3-oxocyclopentyl)propanoic acid (CID 154943990) is 2-(2-butyl-3-oxocyclopentyl)propanoic acid.
What is the SMILES notation for 2-(2-butyl-3-oxocyclopentyl)propanoic acid?
The canonical SMILES for 2-(2-butyl-3-oxocyclopentyl)propanoic acid is CCCCC1C(=O)CCC1C(C)C(=O)O.
What is the InChIKey of 2-(2-butyl-3-oxocyclopentyl)propanoic acid?
The InChIKey is ZJEKXXQTFXCUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-5-10-9(6-7-11(10)13)8(2)12(14)15/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-butyl-3-oxocyclopentyl)propanoic acid?
2-(2-butyl-3-oxocyclopentyl)propanoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-3-oxocyclopentyl)propanoic acid is sourced from PubChem (CID 154943990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).