2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid

C8H12FNO3 — CID 172623932

IUPAC2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid
SMILESC=C(CN1CC(F)(CO)C1)C(=O)O
InChIInChI=1S/C8H12FNO3/c1-6(7(12)13)2-10-3-8(9,4-10)5-11/h11H,1-5H2,(H,12,13)
InChIKeyWEZOOMFAYILDPV-UHFFFAOYSA-N
MW189.19 g/mol
LogP-0.36
Rot. Bonds4

About 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid

2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid (PubChem CID 172623932) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid
PubChem CID172623932
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid
SMILESC=C(CN1CC(F)(CO)C1)C(=O)O
InChIInChI=1S/C8H12FNO3/c1-6(7(12)13)2-10-3-8(9,4-10)5-11/h11H,1-5H2,(H,12,13)
InChIKeyWEZOOMFAYILDPV-UHFFFAOYSA-N
XLogP-0.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic 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-[[Bis(2-hydroxyethyl)amino]methyl]prop-2-enoic acid
CID 20303694
2-[(3-Fluoro-3-methylazetidin-1-yl)methyl]prop-2-enoic acid
CID 172623738
2-[[3-(Trifluoromethyl)azetidin-1-yl]methyl]prop-2-enoic acid
CID 172624045
2-[(3-Fluoroazetidin-1-yl)methyl]prop-2-enoic acid
CID 172624050
2-[(3,3-Difluoroazetidin-1-yl)methyl]prop-2-enoic acid
CID 172624120
2-[[Ethyl(2-hydroxyethyl)amino]methyl]prop-2-enoic acid
CID 53940062
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]prop-2-enoic acid
CID 107480848
2-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid
CID 107480926
2-[[Bis(1-hydroxyethyl)amino]methyl]prop-2-enoic acid
CID 57245722
2-(Azetidin-1-ylmethyl)prop-2-enoic acid
CID 130547615
2-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enoic acid
CID 172623751
Ethane;2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid
CID 172624012

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid (CID 172623932) is 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid is C=C(CN1CC(F)(CO)C1)C(=O)O.
What is the InChIKey of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid?
The InChIKey is WEZOOMFAYILDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-6(7(12)13)2-10-3-8(9,4-10)5-11/h11H,1-5H2,(H,12,13).
What are the key properties of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid?
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid has a molecular weight of 189.19 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]prop-2-enoic acid is sourced from PubChem (CID 172623932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).