(2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid

C8H14O4 — CID 164613152

IUPAC(2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@H]1CCO[C@]1(C)O
InChIInChI=1S/C8H14O4/c1-5(7(9)10)6-3-4-12-8(6,2)11/h5-6,11H,3-4H2,1-2H3,(H,9,10)/t5-,6-,8+/m1/s1
InChIKeyHAENCSVQOMEFAA-JKMUOGBPSA-N
MW174.20 g/mol
LogP0.45
Rot. Bonds2

About (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid

(2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid (PubChem CID 164613152) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid
PubChem CID164613152
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@H]1CCO[C@]1(C)O
InChIInChI=1S/C8H14O4/c1-5(7(9)10)6-3-4-12-8(6,2)11/h5-6,11H,3-4H2,1-2H3,(H,9,10)/t5-,6-,8+/m1/s1
InChIKeyHAENCSVQOMEFAA-JKMUOGBPSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid (CID 164613152) is (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid is C[C@@H](C(=O)O)[C@H]1CCO[C@]1(C)O.
What is the InChIKey of (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid?
The InChIKey is HAENCSVQOMEFAA-JKMUOGBPSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(7(9)10)6-3-4-12-8(6,2)11/h5-6,11H,3-4H2,1-2H3,(H,9,10)/t5-,6-,8+/m1/s1.
What are the key properties of (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid?
(2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R)-2-hydroxy-2-methyloxolan-3-yl]propanoic acid is sourced from PubChem (CID 164613152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).