(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate

C8H14O5 — CID 141047311

IUPAC(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate
SMILESO=C(OC1(O)CCCC1)C(O)CO
InChIInChI=1S/C8H14O5/c9-5-6(10)7(11)13-8(12)3-1-2-4-8/h6,9-10,12H,1-5H2
InChIKeyHLBBYTSLGKSQHV-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.85
Rot. Bonds3

About (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate

(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate (PubChem CID 141047311) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate
PubChem CID141047311
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate
SMILESO=C(OC1(O)CCCC1)C(O)CO
InChIInChI=1S/C8H14O5/c9-5-6(10)7(11)13-8(12)3-1-2-4-8/h6,9-10,12H,1-5H2
InChIKeyHLBBYTSLGKSQHV-UHFFFAOYSA-N
XLogP-0.85
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
(1-hydroxycyclooctyl) acetate
CID 91039609
cyclobutyl 2,3-dihydroxypropanoate
CID 141365540
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate
CID 155673324
1-(1-hydroxycyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 174614637
2-oxoethyl 2,3-dihydroxypropanoate
CID 20759177
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989
(2-aminoacetyl) 2,3-dihydroxypropanoate
CID 163363613
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
tert-butyl 2,3-dihydroxypropanoate;hydrate
CID 141006669

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate?
The IUPAC name of (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate (CID 141047311) is (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate.
What is the SMILES notation for (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate?
The canonical SMILES for (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate is O=C(OC1(O)CCCC1)C(O)CO.
What is the InChIKey of (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate?
The InChIKey is HLBBYTSLGKSQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c9-5-6(10)7(11)13-8(12)3-1-2-4-8/h6,9-10,12H,1-5H2.
What are the key properties of (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate?
(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate has a molecular weight of 190.19 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl) 2,3-dihydroxypropanoate is sourced from PubChem (CID 141047311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).