(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid

C8H12O5 — CID 102133203

IUPAC(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid
SMILESCC1(C)OC(=O)C[C@@H]1[C@@H](O)C(=O)O
InChIInChI=1S/C8H12O5/c1-8(2)4(3-5(9)13-8)6(10)7(11)12/h4,6,10H,3H2,1-2H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyVCRJIOPXBFRONJ-INEUFUBQSA-N
MW188.18 g/mol
LogP-0.23
Rot. Bonds2

About (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid

(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid (PubChem CID 102133203) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid
PubChem CID102133203
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid
SMILESCC1(C)OC(=O)C[C@@H]1[C@@H](O)C(=O)O
InChIInChI=1S/C8H12O5/c1-8(2)4(3-5(9)13-8)6(10)7(11)12/h4,6,10H,3H2,1-2H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyVCRJIOPXBFRONJ-INEUFUBQSA-N
XLogP-0.23
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one
CID 71521739
(4S,5R)-5-hydroxy-4,6,6-trimethyloxan-2-one
CID 13412067
(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 6931352
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
5,6,6-trimethyloxan-2-one
CID 20872380
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 66287773
(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
4,4-dimethyl-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrol-6-one
CID 130057017
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
5-hydroxy-2,2-dimethyloxolan-3-one
CID 53438929
(3S)-2,2-dimethyl-4-oxooxetane-3-carboxylic acid
CID 2314551
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid (CID 102133203) is (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid is CC1(C)OC(=O)C[C@@H]1[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid?
The InChIKey is VCRJIOPXBFRONJ-INEUFUBQSA-N. The full InChI is InChI=1S/C8H12O5/c1-8(2)4(3-5(9)13-8)6(10)7(11)12/h4,6,10H,3H2,1-2H3,(H,11,12)/t4-,6-/m1/s1.
What are the key properties of (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid?
(2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid has a molecular weight of 188.18 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 102133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).