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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Related Compounds

methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate
CID 82837807
dimethyl 2-(oxolan-2-yl)butanedioate
CID 3877780
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
2-hydroxy-2-(oxolan-2-yl)acetamide
CID 82837458
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
CID 135058981
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate
CID 82836802

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).