2-oxoethyl 2,3-dihydroxypropanoate

C5H8O5 — CID 20759177

IUPAC2-oxoethyl 2,3-dihydroxypropanoate
SMILESO=CCOC(=O)C(O)CO
InChIInChI=1S/C5H8O5/c6-1-2-10-5(9)4(8)3-7/h1,4,7-8H,2-3H2
InChIKeyJLLDYGASSMXIHH-UHFFFAOYSA-N
MW148.11 g/mol
LogP-1.92
Rot. Bonds4

About 2-oxoethyl 2,3-dihydroxypropanoate

2-oxoethyl 2,3-dihydroxypropanoate (PubChem CID 20759177) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2-oxoethyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name2-oxoethyl 2,3-dihydroxypropanoate
PubChem CID20759177
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2-oxoethyl 2,3-dihydroxypropanoate
SMILESO=CCOC(=O)C(O)CO
InChIInChI=1S/C5H8O5/c6-1-2-10-5(9)4(8)3-7/h1,4,7-8H,2-3H2
InChIKeyJLLDYGASSMXIHH-UHFFFAOYSA-N
XLogP-1.92
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxoethyl 2,3,4,5,6-pentahydroxyhexanoate
CID 139960257
2-oxoethyl 2-hydroxy-3-phosphonooxypropanoate
CID 123508037
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989
methyl 2-oxoethyl carbonate
CID 20662885
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate
CID 155673324
3-methylbutyl 2,3-dihydroxypropanoate
CID 87068414
2-oxoethyl 2-(aminomethyl)butanoate
CID 156905587
(2-aminoacetyl) 2,3-dihydroxypropanoate
CID 163363613
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
2-oxoethyl 4-hydroxy-2-oxopentanoate
CID 87138490

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2,3-dihydroxypropanoate?
The IUPAC name of 2-oxoethyl 2,3-dihydroxypropanoate (CID 20759177) is 2-oxoethyl 2,3-dihydroxypropanoate.
What is the SMILES notation for 2-oxoethyl 2,3-dihydroxypropanoate?
The canonical SMILES for 2-oxoethyl 2,3-dihydroxypropanoate is O=CCOC(=O)C(O)CO.
What is the InChIKey of 2-oxoethyl 2,3-dihydroxypropanoate?
The InChIKey is JLLDYGASSMXIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c6-1-2-10-5(9)4(8)3-7/h1,4,7-8H,2-3H2.
What are the key properties of 2-oxoethyl 2,3-dihydroxypropanoate?
2-oxoethyl 2,3-dihydroxypropanoate has a molecular weight of 148.11 g/mol, XLogP of -1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 20759177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).