2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid

C13H22O5 — CID 103974207

IUPAC2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid
SMILESCCCC(C(=O)O)(C(=O)OCC)C1CCCC1O
InChIInChI=1S/C13H22O5/c1-3-8-13(11(15)16,12(17)18-4-2)9-6-5-7-10(9)14/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyHKHPCCZCRROBID-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.58
Rot. Bonds6

About 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid

2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid (PubChem CID 103974207) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid
PubChem CID103974207
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid
SMILESCCCC(C(=O)O)(C(=O)OCC)C1CCCC1O
InChIInChI=1S/C13H22O5/c1-3-8-13(11(15)16,12(17)18-4-2)9-6-5-7-10(9)14/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyHKHPCCZCRROBID-UHFFFAOYSA-N
XLogP1.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974
ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate
CID 83052014
2-(cyclohexylmethyl)-2-ethoxycarbonylpentanoic acid
CID 103974066
3-ethoxycarbonyl-2,3-dihydroxy-2-propylhexanoic acid
CID 174855975
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
ethyl 2-(4-ethylcycloheptyl)-2-hydroxypentanoate
CID 83050545
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
CID 79298576

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid?
The IUPAC name of 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid (CID 103974207) is 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid.
What is the SMILES notation for 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid?
The canonical SMILES for 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid is CCCC(C(=O)O)(C(=O)OCC)C1CCCC1O.
What is the InChIKey of 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid?
The InChIKey is HKHPCCZCRROBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-3-8-13(11(15)16,12(17)18-4-2)9-6-5-7-10(9)14/h9-10,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid?
2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid has a molecular weight of 258.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid is sourced from PubChem (CID 103974207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).