methyl (2S)-5-hydroxyoxolane-2-carboxylate

C6H10O4 — CID 45090055

IUPACmethyl (2S)-5-hydroxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(O)O1
InChIInChI=1S/C6H10O4/c1-9-6(8)4-2-3-5(7)10-4/h4-5,7H,2-3H2,1H3/t4-,5?/m0/s1
InChIKeyKOWHOSVTTHKXKE-ROLXFIACSA-N
MW146.14 g/mol
LogP-0.34
Rot. Bonds1

About methyl (2S)-5-hydroxyoxolane-2-carboxylate

methyl (2S)-5-hydroxyoxolane-2-carboxylate (PubChem CID 45090055) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl (2S)-5-hydroxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-5-hydroxyoxolane-2-carboxylate
PubChem CID45090055
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl (2S)-5-hydroxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(O)O1
InChIInChI=1S/C6H10O4/c1-9-6(8)4-2-3-5(7)10-4/h4-5,7H,2-3H2,1H3/t4-,5?/m0/s1
InChIKeyKOWHOSVTTHKXKE-ROLXFIACSA-N
XLogP-0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-hydroxyoxolane-2-carboxylate?
The IUPAC name of methyl (2S)-5-hydroxyoxolane-2-carboxylate (CID 45090055) is methyl (2S)-5-hydroxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2S)-5-hydroxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2S)-5-hydroxyoxolane-2-carboxylate is COC(=O)[C@@H]1CCC(O)O1.
What is the InChIKey of methyl (2S)-5-hydroxyoxolane-2-carboxylate?
The InChIKey is KOWHOSVTTHKXKE-ROLXFIACSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-6(8)4-2-3-5(7)10-4/h4-5,7H,2-3H2,1H3/t4-,5?/m0/s1.
What are the key properties of methyl (2S)-5-hydroxyoxolane-2-carboxylate?
methyl (2S)-5-hydroxyoxolane-2-carboxylate has a molecular weight of 146.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-hydroxyoxolane-2-carboxylate is sourced from PubChem (CID 45090055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).