methyl 2-hydroxypropanoate

C4H8O3 — CID 11040

IUPACmethyl 2-hydroxypropanoate
SMILESCOC(=O)C(C)O
InChIInChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
InChIKeyLPEKGGXMPWTOCB-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.46
Rot. Bonds1

About methyl 2-hydroxypropanoate

methyl 2-hydroxypropanoate (PubChem CID 11040) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is methyl 2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxypropanoate
PubChem CID11040
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Namemethyl 2-hydroxypropanoate
SMILESCOC(=O)C(C)O
InChIInChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
InChIKeyLPEKGGXMPWTOCB-UHFFFAOYSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Calcium Lactate
CID 13144
Ethyl Lactate
CID 7344
Butyl Lactate
CID 8738
Ammonium Lactate
CID 62358
(L)-ethyl lactate
CID 92831
2-Hydroxybutyric Acid
CID 11266
Ferrous Lactate
CID 22197
Propyl lactate, (+-)-
CID 92821
Lactate
CID 91435
Methyl alpha-hydroxyisobutyrate
CID 75024
(S)-2-Hydroxybutyric acid
CID 440864
Cupric lactate
CID 13145

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxypropanoate?
The IUPAC name of methyl 2-hydroxypropanoate (CID 11040) is methyl 2-hydroxypropanoate.
What is the SMILES notation for methyl 2-hydroxypropanoate?
The canonical SMILES for methyl 2-hydroxypropanoate is COC(=O)C(C)O.
What is the InChIKey of methyl 2-hydroxypropanoate?
The InChIKey is LPEKGGXMPWTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3.
What are the key properties of methyl 2-hydroxypropanoate?
methyl 2-hydroxypropanoate has a molecular weight of 104.11 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxypropanoate is sourced from PubChem (CID 11040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).