methyl 3-methoxypropanoate

C5H10O3 — CID 19710

IUPACmethyl 3-methoxypropanoate
SMILESCOCCC(=O)OC
InChIInChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
InChIKeyBDJSOPWXYLFTNW-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.20
Rot. Bonds3

About methyl 3-methoxypropanoate

methyl 3-methoxypropanoate (PubChem CID 19710) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methyl 3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 3-methoxypropanoate
PubChem CID19710
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethyl 3-methoxypropanoate
SMILESCOCCC(=O)OC
InChIInChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
InChIKeyBDJSOPWXYLFTNW-UHFFFAOYSA-N
XLogP0.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxypropanoate?
The IUPAC name of methyl 3-methoxypropanoate (CID 19710) is methyl 3-methoxypropanoate.
What is the SMILES notation for methyl 3-methoxypropanoate?
The canonical SMILES for methyl 3-methoxypropanoate is COCCC(=O)OC.
What is the InChIKey of methyl 3-methoxypropanoate?
The InChIKey is BDJSOPWXYLFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3.
What are the key properties of methyl 3-methoxypropanoate?
methyl 3-methoxypropanoate has a molecular weight of 118.13 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxypropanoate is sourced from PubChem (CID 19710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).