2-(azetidin-3-yl)acetic acid

C5H9NO2 — CID 11768547

IUPAC2-(azetidin-3-yl)acetic acid
SMILESO=C(O)CC1CNC1
InChIInChI=1S/C5H9NO2/c7-5(8)1-4-2-6-3-4/h4,6H,1-3H2,(H,7,8)
InChIKeySCBDSTCOJNNUCN-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.32
Rot. Bonds2

About 2-(azetidin-3-yl)acetic acid

2-(azetidin-3-yl)acetic acid (PubChem CID 11768547) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-(azetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)acetic acid
PubChem CID11768547
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-(azetidin-3-yl)acetic acid
SMILESO=C(O)CC1CNC1
InChIInChI=1S/C5H9NO2/c7-5(8)1-4-2-6-3-4/h4,6H,1-3H2,(H,7,8)
InChIKeySCBDSTCOJNNUCN-UHFFFAOYSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(azetidin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
2-(Azetidin-3-yl)-2-fluoroacetic acid hydrochloride
CID 134163173
2-(Azetidin-3-yl)propanoic acid
CID 75478613
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
2-(Azetidin-3-yl)-2,2-difluoroacetic acid
CID 105429494
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263
2-(3-Methylazetidin-3-yl)acetic acid
CID 15179380
2,2-Dimethyl-4-(methylamino)butanoic acid
CID 20643468
4-[(3-Methylbutyl)amino]butanoic acid
CID 33788332
Methyl 2-(azetidin-3-yl)acetate
CID 53408531
4-(Ethylamino)-2-methylbutanoic acid
CID 54099328

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)acetic acid?
The IUPAC name of 2-(azetidin-3-yl)acetic acid (CID 11768547) is 2-(azetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(azetidin-3-yl)acetic acid?
The canonical SMILES for 2-(azetidin-3-yl)acetic acid is O=C(O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)acetic acid?
The InChIKey is SCBDSTCOJNNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)1-4-2-6-3-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of 2-(azetidin-3-yl)acetic acid?
2-(azetidin-3-yl)acetic acid has a molecular weight of 115.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)acetic acid is sourced from PubChem (CID 11768547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).