2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid

C14H22O5 — CID 172723721

IUPAC2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid
SMILESCCCCCC1C(=O)CCC1C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C14H22O5/c1-3-4-5-6-9-10(7-8-11(9)15)14(2,12(16)17)13(18)19/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGWBBCHSDGRGOPZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.34
Rot. Bonds7

About 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid

2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid (PubChem CID 172723721) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid.

Molecular Properties

Compound Name2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid
PubChem CID172723721
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid
SMILESCCCCCC1C(=O)CCC1C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C14H22O5/c1-3-4-5-6-9-10(7-8-11(9)15)14(2,12(16)17)13(18)19/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGWBBCHSDGRGOPZ-UHFFFAOYSA-N
XLogP2.34
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-2-pentylcyclopentane-1-carboxylate
CID 21443730
ethane;3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CID 90787158
(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate
CID 140557115
7-[(1R)-2-(3-hydroxy-3-methyloctyl)-5-oxocyclopentyl]heptanoic acid
CID 10021050
2-[(1R,2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid;2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid
CID 157449570
2-(2-butyl-3-oxocyclopentyl)propanoic acid
CID 154943990
(3-oxo-2-pentylcyclopentyl) pentanoate
CID 91315520
7-[(1R)-2-oxo-5-(3-oxooctyl)cyclopentyl]heptanoic acid
CID 25207345
ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 15452634
2-hydroxy-2-(2-hydroxyethoxy)-3,3-dimethyl-7-[(1R,2S)-2-octyl-5-oxocyclopentyl]heptanoic acid
CID 57242935
pentyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 54471337
ethane-1,2-diol;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
CID 154944035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid?
The IUPAC name of 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid (CID 172723721) is 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid.
What is the SMILES notation for 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid?
The canonical SMILES for 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid is CCCCCC1C(=O)CCC1C(C)(C(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid?
The InChIKey is GWBBCHSDGRGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-3-4-5-6-9-10(7-8-11(9)15)14(2,12(16)17)13(18)19/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid?
2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid has a molecular weight of 270.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid is sourced from PubChem (CID 172723721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).