2-(2-cyclopentylethyl)propanedioic acid

C10H16O4 — CID 23186368

IUPAC2-(2-cyclopentylethyl)propanedioic acid
SMILESO=C(O)C(CCC1CCCC1)C(=O)O
InChIInChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-5-7-3-1-2-4-7/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyZULKLAWCYGHDSX-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.74
Rot. Bonds5

About 2-(2-cyclopentylethyl)propanedioic acid

2-(2-cyclopentylethyl)propanedioic acid (PubChem CID 23186368) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)propanedioic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)propanedioic acid
PubChem CID23186368
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(2-cyclopentylethyl)propanedioic acid
SMILESO=C(O)C(CCC1CCCC1)C(=O)O
InChIInChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-5-7-3-1-2-4-7/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyZULKLAWCYGHDSX-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
CID 157381240
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
bis(2-methylpropyl) 2-(2-cyclohexylethyl)propanedioate
CID 118088621
4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612
3-oxo-2-[2-(4-propylcyclohexyl)ethyl]butanoic acid
CID 142651191
(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
CID 101288409
1,5-dicyclohexylpentan-3-ol
CID 56981010
5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
CID 59765420
3-(2-cyclohexylethyl)-5-hydroxypentanoic acid
CID 19807422
2-chloro-14-cyclohexyltetradecanoic acid
CID 174341935

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)propanedioic acid?
The IUPAC name of 2-(2-cyclopentylethyl)propanedioic acid (CID 23186368) is 2-(2-cyclopentylethyl)propanedioic acid.
What is the SMILES notation for 2-(2-cyclopentylethyl)propanedioic acid?
The canonical SMILES for 2-(2-cyclopentylethyl)propanedioic acid is O=C(O)C(CCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethyl)propanedioic acid?
The InChIKey is ZULKLAWCYGHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-5-7-3-1-2-4-7/h7-8H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2-cyclopentylethyl)propanedioic acid?
2-(2-cyclopentylethyl)propanedioic acid has a molecular weight of 200.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)propanedioic acid is sourced from PubChem (CID 23186368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).