5-[(2R)-oxolan-2-yl]pentanoic acid

C9H16O3 — CID 67391734

IUPAC5-[(2R)-oxolan-2-yl]pentanoic acid
SMILESO=C(O)CCCC[C@@H]1CCCO1
InChIInChI=1S/C9H16O3/c10-9(11)6-2-1-4-8-5-3-7-12-8/h8H,1-7H2,(H,10,11)/t8-/m1/s1
InChIKeyFSQDQVKAHBQFQO-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.81
Rot. Bonds5

About 5-[(2R)-oxolan-2-yl]pentanoic acid

5-[(2R)-oxolan-2-yl]pentanoic acid (PubChem CID 67391734) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]pentanoic acid
PubChem CID67391734
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-[(2R)-oxolan-2-yl]pentanoic acid
SMILESO=C(O)CCCC[C@@H]1CCCO1
InChIInChI=1S/C9H16O3/c10-9(11)6-2-1-4-8-5-3-7-12-8/h8H,1-7H2,(H,10,11)/t8-/m1/s1
InChIKeyFSQDQVKAHBQFQO-MRVPVSSYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(oxolan-2-yl)heptanoic acid
CID 174977398
5-(oxolan-2-yl)pentanamide
CID 67128385
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
1-(oxolan-2-yl)undecan-4-one
CID 114976697
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolan-2-yl]pentanoic acid?
The IUPAC name of 5-[(2R)-oxolan-2-yl]pentanoic acid (CID 67391734) is 5-[(2R)-oxolan-2-yl]pentanoic acid.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]pentanoic acid?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]pentanoic acid is O=C(O)CCCC[C@@H]1CCCO1.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]pentanoic acid?
The InChIKey is FSQDQVKAHBQFQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c10-9(11)6-2-1-4-8-5-3-7-12-8/h8H,1-7H2,(H,10,11)/t8-/m1/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]pentanoic acid?
5-[(2R)-oxolan-2-yl]pentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]pentanoic acid is sourced from PubChem (CID 67391734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).