methyl (2S)-2,3-dihydroxypropanoate

C4H8O4 — CID 11083880

IUPACmethyl (2S)-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@@H](O)CO
InChIInChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m0/s1
InChIKeyCOFCNNXZXGCREM-VKHMYHEASA-N
MW120.10 g/mol
LogP-1.49
Rot. Bonds2

About methyl (2S)-2,3-dihydroxypropanoate

methyl (2S)-2,3-dihydroxypropanoate (PubChem CID 11083880) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is methyl (2S)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2,3-dihydroxypropanoate
PubChem CID11083880
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Namemethyl (2S)-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@@H](O)CO
InChIInChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m0/s1
InChIKeyCOFCNNXZXGCREM-VKHMYHEASA-N
XLogP-1.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2,3-dihydroxypropanoate?
The IUPAC name of methyl (2S)-2,3-dihydroxypropanoate (CID 11083880) is methyl (2S)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl (2S)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl (2S)-2,3-dihydroxypropanoate is COC(=O)[C@@H](O)CO.
What is the InChIKey of methyl (2S)-2,3-dihydroxypropanoate?
The InChIKey is COFCNNXZXGCREM-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m0/s1.
What are the key properties of methyl (2S)-2,3-dihydroxypropanoate?
methyl (2S)-2,3-dihydroxypropanoate has a molecular weight of 120.10 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2,3-dihydroxypropanoate is sourced from PubChem (CID 11083880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).