methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate

C8H16O4 — CID 139757368

IUPACmethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCOC(=O)C(O)COC(C)(C)C
InChIInChI=1S/C8H16O4/c1-8(2,3)12-5-6(9)7(10)11-4/h6,9H,5H2,1-4H3
InChIKeyNQYIWERTZWUBKB-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.34
Rot. Bonds3

About methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate

methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 139757368) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID139757368
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCOC(=O)C(O)COC(C)(C)C
InChIInChI=1S/C8H16O4/c1-8(2,3)12-5-6(9)7(10)11-4/h6,9H,5H2,1-4H3
InChIKeyNQYIWERTZWUBKB-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethylsulfonyloxy)propanoate
CID 165125433
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
CID 103972473
methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 4204339
2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-2-methylpropanamide
CID 61221150
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 89152720
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 162342994
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 139757368) is methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate is COC(=O)C(O)COC(C)(C)C.
What is the InChIKey of methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is NQYIWERTZWUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(2,3)12-5-6(9)7(10)11-4/h6,9H,5H2,1-4H3.
What are the key properties of methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate?
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 176.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 139757368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).