methanol;methyl 2,3-dihydroxypropanoate

C5H12O5 — CID 174804143

IUPACmethanol;methyl 2,3-dihydroxypropanoate
SMILESCO.COC(=O)C(O)CO
InChIInChI=1S/C4H8O4.CH4O/c1-8-4(7)3(6)2-5;1-2/h3,5-6H,2H2,1H3;2H,1H3
InChIKeyIANHAXKVLOEBTG-UHFFFAOYSA-N
MW152.15 g/mol
LogP-1.88
Rot. Bonds2

About methanol;methyl 2,3-dihydroxypropanoate

methanol;methyl 2,3-dihydroxypropanoate (PubChem CID 174804143) has the molecular formula C5H12O5 and a molecular weight of 152.15 g/mol. Its IUPAC name is methanol;methyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethanol;methyl 2,3-dihydroxypropanoate
PubChem CID174804143
Molecular FormulaC5H12O5
Molecular Weight152.15 g/mol
Exact Mass152.07
IUPAC Namemethanol;methyl 2,3-dihydroxypropanoate
SMILESCO.COC(=O)C(O)CO
InChIInChI=1S/C4H8O4.CH4O/c1-8-4(7)3(6)2-5;1-2/h3,5-6H,2H2,1H3;2H,1H3
InChIKeyIANHAXKVLOEBTG-UHFFFAOYSA-N
XLogP-1.88
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate
CID 126656088
methyl (3S)-3,4-dihydroxy-2-oxobutanoate
CID 54573804
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 2-hydroxypentanoate
CID 543619
CID 158648791
CID 158648791
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
CID 21121189
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
methanol;methyl 2-hydroxypropanoate
CID 157321309

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 2,3-dihydroxypropanoate?
The IUPAC name of methanol;methyl 2,3-dihydroxypropanoate (CID 174804143) is methanol;methyl 2,3-dihydroxypropanoate.
What is the SMILES notation for methanol;methyl 2,3-dihydroxypropanoate?
The canonical SMILES for methanol;methyl 2,3-dihydroxypropanoate is CO.COC(=O)C(O)CO.
What is the InChIKey of methanol;methyl 2,3-dihydroxypropanoate?
The InChIKey is IANHAXKVLOEBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4.CH4O/c1-8-4(7)3(6)2-5;1-2/h3,5-6H,2H2,1H3;2H,1H3.
What are the key properties of methanol;methyl 2,3-dihydroxypropanoate?
methanol;methyl 2,3-dihydroxypropanoate has a molecular weight of 152.15 g/mol, XLogP of -1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 174804143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).