3-Azetidinecarboxylic Acid

CAT: 1596-AR-A07864-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07864-01Size:10 Units

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CAS Number

36476-78-5

Molecular Formula

C4H7NO2

Molecular Weight

101.11

API Name

Azetidine

Chemical Information

3-azetidinecarboxylic Acid

CAS Number	36476-78-5
PubChem CID	93192
IUPAC Name	azetidine-3-carboxylic acid
Molecular Formula	C4H7NO2
Molecular Weight	101.10
XLogP	-3.2
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	87

SMILES

C1C(CN1)C(=O)O

InChI

InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)

InChIKey

GFZWHAAOIVMHOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36476-78-5

CID: 93192

Formula: C4H7NO2

MW: 101.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	101.10
XLogP3	-3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	101.047678466
Monoisotopic Mass	101.047678466
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	87.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-A812520-25G	3-Azetidinecarboxylic Acid
A4950-33	3-Azetidinecarboxylic Acid (3-Carboxyazetidine)
TRC-A965533-100MG	3-Methyl-3-azetidinecarboxylic Acid
OR1101395-01	2-Azetidinecarboxylic Acid
XDA62891	1-Acetyl-3-azetidinecarboxylic acid
sc-333754	1-Azetidinecarboxylic acid
UYB82827	1- (Methylsulfonyl) -3-azetidinecarboxylic acid
410020-01	1-Methyl-3-azetidinecarboxylic acid
TRC-A965568-5MG	1-Ethyl-3-azetidinecarboxylic Acid
OR451030	3-Methyl-3-azetidinecarboxylic acid hydrochloride