4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid

C11H20O4 — CID 11615455

IUPAC4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid
SMILESCC[C@H](O)[C@H]1C[C@H](CCCC(=O)O)CO1
InChIInChI=1S/C11H20O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,9-,10+/m0/s1
InChIKeyKOGNSOVIFNEWCD-LPEHRKFASA-N
MW216.28 g/mol
LogP1.42
Rot. Bonds6

About 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid

4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid (PubChem CID 11615455) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid
PubChem CID11615455
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid
SMILESCC[C@H](O)[C@H]1C[C@H](CCCC(=O)O)CO1
InChIInChI=1S/C11H20O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,9-,10+/m0/s1
InChIKeyKOGNSOVIFNEWCD-LPEHRKFASA-N
XLogP1.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid?
The IUPAC name of 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid (CID 11615455) is 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid.
What is the SMILES notation for 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid?
The canonical SMILES for 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid is CC[C@H](O)[C@H]1C[C@H](CCCC(=O)O)CO1.
What is the InChIKey of 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid?
The InChIKey is KOGNSOVIFNEWCD-LPEHRKFASA-N. The full InChI is InChI=1S/C11H20O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,9-,10+/m0/s1.
What are the key properties of 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid?
4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid is sourced from PubChem (CID 11615455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).