methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate

C9H16O4 — CID 10943229

IUPACmethyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
SMILESCOC(=O)[C@@H](O)[C@@H](C)[C@H]1CCCO1
InChIInChI=1S/C9H16O4/c1-6(7-4-3-5-13-7)8(10)9(11)12-2/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyATSSYSDGPLUUSP-RNJXMRFFSA-N
MW188.22 g/mol
LogP0.34
Rot. Bonds3

About methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate

methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate (PubChem CID 10943229) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
PubChem CID10943229
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
SMILESCOC(=O)[C@@H](O)[C@@H](C)[C@H]1CCCO1
InChIInChI=1S/C9H16O4/c1-6(7-4-3-5-13-7)8(10)9(11)12-2/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyATSSYSDGPLUUSP-RNJXMRFFSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate?
The IUPAC name of methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate (CID 10943229) is methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate.
What is the SMILES notation for methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate?
The canonical SMILES for methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate is COC(=O)[C@@H](O)[C@@H](C)[C@H]1CCCO1.
What is the InChIKey of methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate?
The InChIKey is ATSSYSDGPLUUSP-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H16O4/c1-6(7-4-3-5-13-7)8(10)9(11)12-2/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate?
methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate has a molecular weight of 188.22 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 (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate is sourced from PubChem (CID 10943229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).