(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate

C7H6O6-2 — CID 7054787

IUPAC(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate
SMILESO=C([O-])C[C@@H]1CC(=O)O[C@H]1C(=O)[O-]
InChIInChI=1S/C7H8O6/c8-4(9)1-3-2-5(10)13-6(3)7(11)12/h3,6H,1-2H2,(H,8,9)(H,11,12)/p-2/t3-,6-/m1/s1
InChIKeyDUCSQQQBESGYKY-AWFVSMACSA-L
MW186.12 g/mol
LogP-3.19
Rot. Bonds3

About (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate

(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate (PubChem CID 7054787) has the molecular formula C7H6O6-2 and a molecular weight of 186.12 g/mol. Its IUPAC name is (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Name(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate
PubChem CID7054787
Molecular FormulaC7H6O6-2
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate
SMILESO=C([O-])C[C@@H]1CC(=O)O[C@H]1C(=O)[O-]
InChIInChI=1S/C7H8O6/c8-4(9)1-3-2-5(10)13-6(3)7(11)12/h3,6H,1-2H2,(H,8,9)(H,11,12)/p-2/t3-,6-/m1/s1
InChIKeyDUCSQQQBESGYKY-AWFVSMACSA-L
XLogP-3.19
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-3.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-(carboxylatomethyl)azetidin-1-ium-2-carboxylate
CID 7157246
(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
5-acetyl-4-methyloxolan-2-one
CID 14713998
(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one
CID 102025085
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
cobalt(2+);bis(2-cyclopropylacetate)
CID 90200076
4-oxooxetane-2-carboxylic acid
CID 55299922
5-hydroxy-4-propyloxolan-2-one
CID 23531071
5-benzoyl-4-hexyloxolan-2-one
CID 101422836
(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
CID 68539806
(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
CID 11424286
5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate?
The IUPAC name of (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate (CID 7054787) is (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate.
What is the SMILES notation for (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate?
The canonical SMILES for (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate is O=C([O-])C[C@@H]1CC(=O)O[C@H]1C(=O)[O-].
What is the InChIKey of (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate?
The InChIKey is DUCSQQQBESGYKY-AWFVSMACSA-L. The full InChI is InChI=1S/C7H8O6/c8-4(9)1-3-2-5(10)13-6(3)7(11)12/h3,6H,1-2H2,(H,8,9)(H,11,12)/p-2/t3-,6-/m1/s1.
What are the key properties of (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate?
(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate has a molecular weight of 186.12 g/mol, XLogP of -3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 7054787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).