ethyl 2,3-dihydroxypropanoate

C5H10O4 — CID 12699281

IUPACethyl 2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)CO
InChIInChI=1S/C5H10O4/c1-2-9-5(8)4(7)3-6/h4,6-7H,2-3H2,1H3
InChIKeyFTOZMXOHOKRHNL-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.10
Rot. Bonds3

About ethyl 2,3-dihydroxypropanoate

ethyl 2,3-dihydroxypropanoate (PubChem CID 12699281) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is ethyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxypropanoate
PubChem CID12699281
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Nameethyl 2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)CO
InChIInChI=1S/C5H10O4/c1-2-9-5(8)4(7)3-6/h4,6-7H,2-3H2,1H3
InChIKeyFTOZMXOHOKRHNL-UHFFFAOYSA-N
XLogP-1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxypropanoate?
The IUPAC name of ethyl 2,3-dihydroxypropanoate (CID 12699281) is ethyl 2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 2,3-dihydroxypropanoate is CCOC(=O)C(O)CO.
What is the InChIKey of ethyl 2,3-dihydroxypropanoate?
The InChIKey is FTOZMXOHOKRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-2-9-5(8)4(7)3-6/h4,6-7H,2-3H2,1H3.
What are the key properties of ethyl 2,3-dihydroxypropanoate?
ethyl 2,3-dihydroxypropanoate has a molecular weight of 134.13 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 12699281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).