ethyl 3-hydroxypropanoate

C5H10O3 — CID 12870589

IUPACethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO
InChIInChI=1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
InChIKeyUKDLORMZNPQILV-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.07
Rot. Bonds3

About ethyl 3-hydroxypropanoate

ethyl 3-hydroxypropanoate (PubChem CID 12870589) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is ethyl 3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxypropanoate
PubChem CID12870589
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO
InChIInChI=1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
InChIKeyUKDLORMZNPQILV-UHFFFAOYSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxypropanoate?
The IUPAC name of ethyl 3-hydroxypropanoate (CID 12870589) is ethyl 3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-hydroxypropanoate?
The canonical SMILES for ethyl 3-hydroxypropanoate is CCOC(=O)CCO.
What is the InChIKey of ethyl 3-hydroxypropanoate?
The InChIKey is UKDLORMZNPQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3.
What are the key properties of ethyl 3-hydroxypropanoate?
ethyl 3-hydroxypropanoate has a molecular weight of 118.13 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxypropanoate is sourced from PubChem (CID 12870589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).