methyl (2R)-2-hydroxypropanoate

C4H8O3 — CID 637514

IUPACmethyl (2R)-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](C)O
InChIInChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
InChIKeyLPEKGGXMPWTOCB-GSVOUGTGSA-N
MW104.11 g/mol
LogP-0.46
Rot. Bonds1

About methyl (2R)-2-hydroxypropanoate

methyl (2R)-2-hydroxypropanoate (PubChem CID 637514) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is methyl (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxypropanoate
PubChem CID637514
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Namemethyl (2R)-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](C)O
InChIInChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
InChIKeyLPEKGGXMPWTOCB-GSVOUGTGSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-hydroxypropanoate (CID 637514) is methyl (2R)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-hydroxypropanoate is COC(=O)[C@@H](C)O.
What is the InChIKey of methyl (2R)-2-hydroxypropanoate?
The InChIKey is LPEKGGXMPWTOCB-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxypropanoate?
methyl (2R)-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 (2R)-2-hydroxypropanoate is sourced from PubChem (CID 637514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).