2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid

C17H24O5 — CID 22289294

IUPAC2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CC(=O)C1CCCC1)(C(=O)O)C1CCCC1
InChIInChI=1S/C17H24O5/c1-11(15(19)20)17(16(21)22,13-8-4-5-9-13)10-14(18)12-6-2-3-7-12/h12-13H,1-10H2,(H,19,20)(H,21,22)
InChIKeyGFEVJKXFMRTPPR-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.04
Rot. Bonds7

About 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid

2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid (PubChem CID 22289294) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid
PubChem CID22289294
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CC(=O)C1CCCC1)(C(=O)O)C1CCCC1
InChIInChI=1S/C17H24O5/c1-11(15(19)20)17(16(21)22,13-8-4-5-9-13)10-14(18)12-6-2-3-7-12/h12-13H,1-10H2,(H,19,20)(H,21,22)
InChIKeyGFEVJKXFMRTPPR-UHFFFAOYSA-N
XLogP3.04
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid?
The IUPAC name of 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid (CID 22289294) is 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid.
What is the SMILES notation for 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid?
The canonical SMILES for 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid is C=C(C(=O)O)C(CC(=O)C1CCCC1)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid?
The InChIKey is GFEVJKXFMRTPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-11(15(19)20)17(16(21)22,13-8-4-5-9-13)10-14(18)12-6-2-3-7-12/h12-13H,1-10H2,(H,19,20)(H,21,22).
What are the key properties of 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid?
2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid has a molecular weight of 308.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-cyclopentyl-2-oxoethyl)-3-methylidenebutanedioic acid is sourced from PubChem (CID 22289294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).