2-(azetidin-2-yl)but-2-enoic acid

C7H11NO2 — CID 70487851

IUPAC2-(azetidin-2-yl)but-2-enoic acid
SMILESCC=C(C(=O)O)C1CCN1
InChIInChI=1S/C7H11NO2/c1-2-5(7(9)10)6-3-4-8-6/h2,6,8H,3-4H2,1H3,(H,9,10)
InChIKeyGSDHHSKMDBEUHK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds2

About 2-(azetidin-2-yl)but-2-enoic acid

2-(azetidin-2-yl)but-2-enoic acid (PubChem CID 70487851) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(azetidin-2-yl)but-2-enoic acid.

Molecular Properties

Compound Name2-(azetidin-2-yl)but-2-enoic acid
PubChem CID70487851
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(azetidin-2-yl)but-2-enoic acid
SMILESCC=C(C(=O)O)C1CCN1
InChIInChI=1S/C7H11NO2/c1-2-5(7(9)10)6-3-4-8-6/h2,6,8H,3-4H2,1H3,(H,9,10)
InChIKeyGSDHHSKMDBEUHK-UHFFFAOYSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2R)-N,N-dimethylazetidine-2-carboxamide
CID 124537269
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 178194781

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)but-2-enoic acid?
The IUPAC name of 2-(azetidin-2-yl)but-2-enoic acid (CID 70487851) is 2-(azetidin-2-yl)but-2-enoic acid.
What is the SMILES notation for 2-(azetidin-2-yl)but-2-enoic acid?
The canonical SMILES for 2-(azetidin-2-yl)but-2-enoic acid is CC=C(C(=O)O)C1CCN1.
What is the InChIKey of 2-(azetidin-2-yl)but-2-enoic acid?
The InChIKey is GSDHHSKMDBEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-5(7(9)10)6-3-4-8-6/h2,6,8H,3-4H2,1H3,(H,9,10).
What are the key properties of 2-(azetidin-2-yl)but-2-enoic acid?
2-(azetidin-2-yl)but-2-enoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)but-2-enoic acid is sourced from PubChem (CID 70487851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).