(2S)-5-methoxyoxolane-2-carboxylic acid

C6H10O4 — CID 67688190

IUPAC(2S)-5-methoxyoxolane-2-carboxylic acid
SMILESCOC1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-9-5-3-2-4(10-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5?/m0/s1
InChIKeyNLEDNQLUYIHWAT-ROLXFIACSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds2

About (2S)-5-methoxyoxolane-2-carboxylic acid

(2S)-5-methoxyoxolane-2-carboxylic acid (PubChem CID 67688190) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2S)-5-methoxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-methoxyoxolane-2-carboxylic acid
PubChem CID67688190
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2S)-5-methoxyoxolane-2-carboxylic acid
SMILESCOC1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-9-5-3-2-4(10-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5?/m0/s1
InChIKeyNLEDNQLUYIHWAT-ROLXFIACSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxyoxolane-2-carboxylic acid?
The IUPAC name of (2S)-5-methoxyoxolane-2-carboxylic acid (CID 67688190) is (2S)-5-methoxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2S)-5-methoxyoxolane-2-carboxylic acid?
The canonical SMILES for (2S)-5-methoxyoxolane-2-carboxylic acid is COC1CC[C@@H](C(=O)O)O1.
What is the InChIKey of (2S)-5-methoxyoxolane-2-carboxylic acid?
The InChIKey is NLEDNQLUYIHWAT-ROLXFIACSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-5-3-2-4(10-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5?/m0/s1.
What are the key properties of (2S)-5-methoxyoxolane-2-carboxylic acid?
(2S)-5-methoxyoxolane-2-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxyoxolane-2-carboxylic acid is sourced from PubChem (CID 67688190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).