4-(azetidin-1-yl)butanoic acid

C7H13NO2 — CID 18954187

IUPAC4-(azetidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCC1
InChIInChI=1S/C7H13NO2/c9-7(10)3-1-4-8-5-2-6-8/h1-6H2,(H,9,10)
InChIKeyLIODUSNLTKTOMO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.56
Rot. Bonds4

About 4-(azetidin-1-yl)butanoic acid

4-(azetidin-1-yl)butanoic acid (PubChem CID 18954187) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(azetidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(azetidin-1-yl)butanoic acid
PubChem CID18954187
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(azetidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCC1
InChIInChI=1S/C7H13NO2/c9-7(10)3-1-4-8-5-2-6-8/h1-6H2,(H,9,10)
InChIKeyLIODUSNLTKTOMO-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Trimethylammoniobutanoate
CID 134
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
2-(1-Methylazetidin-3-yl)acetic acid hydrochloride
CID 121553029
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
2-(1-Ethylazetidin-3-yl)acetic acid hydrochloride
CID 170915600
3-Carboxypropyl(triethyl)azanium
CID 15278121
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
4-(3,3-Difluoroazetidin-1-yl)butanoic acid
CID 132236526
4-(Dimethylamino)butanoic acid;hydron;chloride
CID 74764542

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)butanoic acid?
The IUPAC name of 4-(azetidin-1-yl)butanoic acid (CID 18954187) is 4-(azetidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(azetidin-1-yl)butanoic acid?
The canonical SMILES for 4-(azetidin-1-yl)butanoic acid is O=C(O)CCCN1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)butanoic acid?
The InChIKey is LIODUSNLTKTOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)3-1-4-8-5-2-6-8/h1-6H2,(H,9,10).
What are the key properties of 4-(azetidin-1-yl)butanoic acid?
4-(azetidin-1-yl)butanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)butanoic acid is sourced from PubChem (CID 18954187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).