methanol;methyl 2-hydroxypropanoate

C5H12O4 — CID 157321309

IUPACmethanol;methyl 2-hydroxypropanoate
SMILESCO.COC(=O)C(C)O
InChIInChI=1S/C4H8O3.CH4O/c1-3(5)4(6)7-2;1-2/h3,5H,1-2H3;2H,1H3
InChIKeyBEEUFYNMTUYPDZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.85
Rot. Bonds1

About methanol;methyl 2-hydroxypropanoate

methanol;methyl 2-hydroxypropanoate (PubChem CID 157321309) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is methanol;methyl 2-hydroxypropanoate.

Molecular Properties

Compound Namemethanol;methyl 2-hydroxypropanoate
PubChem CID157321309
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Namemethanol;methyl 2-hydroxypropanoate
SMILESCO.COC(=O)C(C)O
InChIInChI=1S/C4H8O3.CH4O/c1-3(5)4(6)7-2;1-2/h3,5H,1-2H3;2H,1H3
InChIKeyBEEUFYNMTUYPDZ-UHFFFAOYSA-N
XLogP-0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
methyl 2-chloropropanoate;stannane
CID 173428193
methyl 2-aminopropanoate
CID 159707893
methyl 2-methylpropanoate;titanium
CID 174633551
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 2-hydroxypropanoate?
The IUPAC name of methanol;methyl 2-hydroxypropanoate (CID 157321309) is methanol;methyl 2-hydroxypropanoate.
What is the SMILES notation for methanol;methyl 2-hydroxypropanoate?
The canonical SMILES for methanol;methyl 2-hydroxypropanoate is CO.COC(=O)C(C)O.
What is the InChIKey of methanol;methyl 2-hydroxypropanoate?
The InChIKey is BEEUFYNMTUYPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.CH4O/c1-3(5)4(6)7-2;1-2/h3,5H,1-2H3;2H,1H3.
What are the key properties of methanol;methyl 2-hydroxypropanoate?
methanol;methyl 2-hydroxypropanoate has a molecular weight of 136.15 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2-hydroxypropanoate is sourced from PubChem (CID 157321309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).