(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid

C12H22O4 — CID 51683760

IUPAC(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid
SMILESCC(C)[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C12H22O4/c1-7(2)10(13)6-9-4-5-11(16-9)8(3)12(14)15/h7-11,13H,4-6H2,1-3H3,(H,14,15)/t8-,9+,10-,11-/m1/s1
InChIKeyCVBMGXOQKKDPQF-LMLFDSFASA-N
MW230.30 g/mol
LogP1.66
Rot. Bonds5

About (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid

(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid (PubChem CID 51683760) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid
PubChem CID51683760
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid
SMILESCC(C)[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C12H22O4/c1-7(2)10(13)6-9-4-5-11(16-9)8(3)12(14)15/h7-11,13H,4-6H2,1-3H3,(H,14,15)/t8-,9+,10-,11-/m1/s1
InChIKeyCVBMGXOQKKDPQF-LMLFDSFASA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(2S,5R)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoic acid
CID 26183486
(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 135023644
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 51693103
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
CID 51693111
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
CID 23872033
methyl 2-[5-(2-hydroxy(113C)propyl)(513C)oxolan-2-yl]propanoate
CID 101161874
(2S)-2-[(2R,5S)-5-[(2R)-2-[(2R)-2-[(2R,5R)-5-(2-oxopropyl)oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
CID 163029794
tert-butyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]propanoate
CID 11161978
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-hydroxy-2-phenylacetyl]oxypropyl]oxolan-2-yl]propanoate
CID 11175534
2-[(2R)-oxiran-2-yl]propanoic acid
CID 54126922
1-(azetidin-2-yl)-3-methylbutan-2-ol
CID 105428563
(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid
CID 10398870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid (CID 51683760) is (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid is CC(C)[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-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid?
The InChIKey is CVBMGXOQKKDPQF-LMLFDSFASA-N. The full InChI is InChI=1S/C12H22O4/c1-7(2)10(13)6-9-4-5-11(16-9)8(3)12(14)15/h7-11,13H,4-6H2,1-3H3,(H,14,15)/t8-,9+,10-,11-/m1/s1.
What are the key properties of (2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid?
(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid has a molecular weight of 230.30 g/mol, XLogP of 1.66, 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-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 51683760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).