2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid

C7H10FNO2 — CID 172624050

IUPAC2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid
SMILESC=C(CN1CC(F)C1)C(=O)O
InChIInChI=1S/C7H10FNO2/c1-5(7(10)11)2-9-3-6(8)4-9/h6H,1-4H2,(H,10,11)
InChIKeyBILIPUFQMWTDGU-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.28
Rot. Bonds3

About 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid

2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid (PubChem CID 172624050) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid
PubChem CID172624050
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid
SMILESC=C(CN1CC(F)C1)C(=O)O
InChIInChI=1S/C7H10FNO2/c1-5(7(10)11)2-9-3-6(8)4-9/h6H,1-4H2,(H,10,11)
InChIKeyBILIPUFQMWTDGU-UHFFFAOYSA-N
XLogP0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-fluoroazetidin-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid (CID 172624050) is 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid is C=C(CN1CC(F)C1)C(=O)O.
What is the InChIKey of 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid?
The InChIKey is BILIPUFQMWTDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c1-5(7(10)11)2-9-3-6(8)4-9/h6H,1-4H2,(H,10,11).
What are the key properties of 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid?
2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid has a molecular weight of 159.16 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoroazetidin-1-yl)methyl]prop-2-enoic acid is sourced from PubChem (CID 172624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).