2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid

C9H16O4 — CID 130917950

IUPAC2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid
SMILESCC1CC(C(C)(O)C(=O)O)C(C)O1
InChIInChI=1S/C9H16O4/c1-5-4-7(6(2)13-5)9(3,12)8(10)11/h5-7,12H,4H2,1-3H3,(H,10,11)
InChIKeyHSQMUZXASGYPCQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.64
Rot. Bonds2

About 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid

2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid (PubChem CID 130917950) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid
PubChem CID130917950
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid
SMILESCC1CC(C(C)(O)C(=O)O)C(C)O1
InChIInChI=1S/C9H16O4/c1-5-4-7(6(2)13-5)9(3,12)8(10)11/h5-7,12H,4H2,1-3H3,(H,10,11)
InChIKeyHSQMUZXASGYPCQ-UHFFFAOYSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid
CID 79303348
tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
CID 118638510
2-hydroxy-2-(2,4,4-trimethylcyclohexyl)propanoic acid
CID 81313663
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
2-methyl-2-(2-methylcyclopropyl)propanoic acid
CID 57203804
(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
CID 124510328
(3S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylic acid
CID 137395580
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
5-methyloxolane-2,3-dicarboxylic acid
CID 70497791
2-bromo-2-hydroxypropanoic acid
CID 88707429
(2S,3R)-2,4,6-trimethyloxan-3-ol
CID 142458613
1-(2,5-dimethyloxolan-3-yl)butan-1-one
CID 130785463

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid (CID 130917950) is 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid is CC1CC(C(C)(O)C(=O)O)C(C)O1.
What is the InChIKey of 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid?
The InChIKey is HSQMUZXASGYPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-4-7(6(2)13-5)9(3,12)8(10)11/h5-7,12H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid?
2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 130917950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).