ethyl 3-hydroxypropanoate

C10H20O6 — CID 160663371

IUPACethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO.CCOC(=O)CCO
InChIInChI=1S/2C5H10O3/c2*1-2-8-5(7)3-4-6/h2*6H,2-4H2,1H3
InChIKeyRLYSVYKKPZPSBF-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.14
Rot. Bonds6

About ethyl 3-hydroxypropanoate

ethyl 3-hydroxypropanoate (PubChem CID 160663371) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is ethyl 3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxypropanoate
PubChem CID160663371
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameethyl 3-hydroxypropanoate
SMILESCCOC(=O)CCO.CCOC(=O)CCO
InChIInChI=1S/2C5H10O3/c2*1-2-8-5(7)3-4-6/h2*6H,2-4H2,1H3
InChIKeyRLYSVYKKPZPSBF-UHFFFAOYSA-N
XLogP-0.14
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl 3-hydroxypropanoate;heptane
CID 18415145
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
CID 87397368
ethyl acetate;ethyl 3-hydroxypropanoate;hexane
CID 173066661
CID 136749907
CID 136749907
ethyl (1,2-13C2)butanoate
CID 157463359

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxypropanoate?
The IUPAC name of ethyl 3-hydroxypropanoate (CID 160663371) is ethyl 3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-hydroxypropanoate?
The canonical SMILES for ethyl 3-hydroxypropanoate is CCOC(=O)CCO.CCOC(=O)CCO.
What is the InChIKey of ethyl 3-hydroxypropanoate?
The InChIKey is RLYSVYKKPZPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O3/c2*1-2-8-5(7)3-4-6/h2*6H,2-4H2,1H3.
What are the key properties of ethyl 3-hydroxypropanoate?
ethyl 3-hydroxypropanoate has a molecular weight of 236.26 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxypropanoate is sourced from PubChem (CID 160663371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).