3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid

C10H16O3 — CID 84659631

IUPAC3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid
SMILESCC(CC(=O)O)C1C2CCOCC21
InChIInChI=1S/C10H16O3/c1-6(4-9(11)12)10-7-2-3-13-5-8(7)10/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyRSGVOOLAFCYMKO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.38
Rot. Bonds3

About 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid

3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid (PubChem CID 84659631) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid
PubChem CID84659631
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid
SMILESCC(CC(=O)O)C1C2CCOCC21
InChIInChI=1S/C10H16O3/c1-6(4-9(11)12)10-7-2-3-13-5-8(7)10/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyRSGVOOLAFCYMKO-UHFFFAOYSA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
CID 76809360
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
3-(oxolan-2-yl)butanoic acid
CID 3727496
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
CID 42614428
3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 82731394
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
(2R)-2-(oxan-4-yl)butanedioic acid
CID 129389221
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
CID 64528543

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid?
The IUPAC name of 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid (CID 84659631) is 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid.
What is the SMILES notation for 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid?
The canonical SMILES for 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid is CC(CC(=O)O)C1C2CCOCC21.
What is the InChIKey of 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid?
The InChIKey is RSGVOOLAFCYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(4-9(11)12)10-7-2-3-13-5-8(7)10/h6-8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid?
3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxabicyclo[4.1.0]heptan-7-yl)butanoic acid is sourced from PubChem (CID 84659631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).