2,3-dicyclopentylbutanedioic acid

C14H22O4 — CID 141323160

IUPAC2,3-dicyclopentylbutanedioic acid
SMILESO=C(O)C(C1CCCC1)C(C(=O)O)C1CCCC1
InChIInChI=1S/C14H22O4/c15-13(16)11(9-5-1-2-6-9)12(14(17)18)10-7-3-4-8-10/h9-12H,1-8H2,(H,15,16)(H,17,18)
InChIKeyVKRWYPRJQLQQFT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.77
Rot. Bonds5

About 2,3-dicyclopentylbutanedioic acid

2,3-dicyclopentylbutanedioic acid (PubChem CID 141323160) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,3-dicyclopentylbutanedioic acid.

Molecular Properties

Compound Name2,3-dicyclopentylbutanedioic acid
PubChem CID141323160
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2,3-dicyclopentylbutanedioic acid
SMILESO=C(O)C(C1CCCC1)C(C(=O)O)C1CCCC1
InChIInChI=1S/C14H22O4/c15-13(16)11(9-5-1-2-6-9)12(14(17)18)10-7-3-4-8-10/h9-12H,1-8H2,(H,15,16)(H,17,18)
InChIKeyVKRWYPRJQLQQFT-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
3-amino-2-cyclopentylbutanoic acid
CID 131138399
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744
2,3-dicyclohexylbutanedioic acid;N-ethylethanamine
CID 174659539
2-cyclopentyl-4-hydroxy-3-methylpentanoic acid
CID 112569249
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
2-cyclopentyl-3-hydroxypentanoic acid
CID 141134348
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
CID 174671046
2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739

Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclopentylbutanedioic acid?
The IUPAC name of 2,3-dicyclopentylbutanedioic acid (CID 141323160) is 2,3-dicyclopentylbutanedioic acid.
What is the SMILES notation for 2,3-dicyclopentylbutanedioic acid?
The canonical SMILES for 2,3-dicyclopentylbutanedioic acid is O=C(O)C(C1CCCC1)C(C(=O)O)C1CCCC1.
What is the InChIKey of 2,3-dicyclopentylbutanedioic acid?
The InChIKey is VKRWYPRJQLQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-13(16)11(9-5-1-2-6-9)12(14(17)18)10-7-3-4-8-10/h9-12H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 2,3-dicyclopentylbutanedioic acid?
2,3-dicyclopentylbutanedioic acid has a molecular weight of 254.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclopentylbutanedioic acid is sourced from PubChem (CID 141323160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).