methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate

C7H10O5 — CID 169491624

IUPACmethyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate
SMILESCOC(=O)C[C@@]1(O)COC(=O)C1
InChIInChI=1S/C7H10O5/c1-11-5(8)2-7(10)3-6(9)12-4-7/h10H,2-4H2,1H3/t7-/m0/s1
InChIKeyHIYYVYGWCYYZJA-ZETCQYMHSA-N
MW174.15 g/mol
LogP-0.77
Rot. Bonds2

About methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate

methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate (PubChem CID 169491624) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate
PubChem CID169491624
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namemethyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate
SMILESCOC(=O)C[C@@]1(O)COC(=O)C1
InChIInChI=1S/C7H10O5/c1-11-5(8)2-7(10)3-6(9)12-4-7/h10H,2-4H2,1H3/t7-/m0/s1
InChIKeyHIYYVYGWCYYZJA-ZETCQYMHSA-N
XLogP-0.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate (CID 169491624) is methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate is COC(=O)C[C@@]1(O)COC(=O)C1.
What is the InChIKey of methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate?
The InChIKey is HIYYVYGWCYYZJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O5/c1-11-5(8)2-7(10)3-6(9)12-4-7/h10H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate?
methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate has a molecular weight of 174.15 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetate is sourced from PubChem (CID 169491624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).