(2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid

C8H14O4 — CID 97308774

IUPAC(2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid
SMILESC[C@@H](O)[C@H]1C[C@H](C(=O)O)[C@@H](C)O1
InChIInChI=1S/C8H14O4/c1-4(9)7-3-6(8(10)11)5(2)12-7/h4-7,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6+,7-/m1/s1
InChIKeyKNZVIVWRQOLUAU-MVIOUDGNSA-N
MW174.20 g/mol
LogP0.25
Rot. Bonds2

About (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid

(2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid (PubChem CID 97308774) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid
PubChem CID97308774
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid
SMILESC[C@@H](O)[C@H]1C[C@H](C(=O)O)[C@@H](C)O1
InChIInChI=1S/C8H14O4/c1-4(9)7-3-6(8(10)11)5(2)12-7/h4-7,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6+,7-/m1/s1
InChIKeyKNZVIVWRQOLUAU-MVIOUDGNSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid?
The IUPAC name of (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid (CID 97308774) is (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid is C[C@@H](O)[C@H]1C[C@H](C(=O)O)[C@@H](C)O1.
What is the InChIKey of (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid?
The InChIKey is KNZVIVWRQOLUAU-MVIOUDGNSA-N. The full InChI is InChI=1S/C8H14O4/c1-4(9)7-3-6(8(10)11)5(2)12-7/h4-7,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid?
(2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[(1R)-1-hydroxyethyl]-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 97308774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).