(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid

C11H20O4 — CID 11053074

IUPAC(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
SMILESCC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+,10-/m1/s1
InChIKeyHTCUURQJNZBKIA-XFWSIPNHSA-N
MW216.28 g/mol
LogP1.42
Rot. Bonds5

About (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid

(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid (PubChem CID 11053074) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
PubChem CID11053074
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
SMILESCC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+,10-/m1/s1
InChIKeyHTCUURQJNZBKIA-XFWSIPNHSA-N
XLogP1.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
CID 11041455
Mkn-004D
CID 10888662
(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
CID 11745340
(3R,4R,5S)-3-butyl-4-hydroxy-5-methyloxolan-2-one
CID 11805213
3-Hydroxy-16-methyl-heptadecanoic acid
CID 342516
Bonactin
CID 11741721
Virginiamycin butanolide C
CID 131000
2-Carboxy-4-dodecanolide
CID 85931447
(2s,3r)-2-Hexyl-3-Hydroxynonanoic Acid
CID 53308656
2,3-Dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
CID 44715247
3S-hydroxy-4R-methyl-2S-(n-eicosanyl)butanolide
CID 155566481
Bourgeanic acid
CID 10905154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid (CID 11053074) is (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid is CC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1.
What is the InChIKey of (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid?
The InChIKey is HTCUURQJNZBKIA-XFWSIPNHSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+,10-/m1/s1.
What are the key properties of (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid?
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 11053074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).