2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid

C7H10FNO3 — CID 167720226

IUPAC2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid
SMILESCC(=O)N1CC(F)(CC(=O)O)C1
InChIInChI=1S/C7H10FNO3/c1-5(10)9-3-7(8,4-9)2-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyHYQKTUIBMBBCCZ-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.03
Rot. Bonds2

About 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid

2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid (PubChem CID 167720226) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid
PubChem CID167720226
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid
SMILESCC(=O)N1CC(F)(CC(=O)O)C1
InChIInChI=1S/C7H10FNO3/c1-5(10)9-3-7(8,4-9)2-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyHYQKTUIBMBBCCZ-UHFFFAOYSA-N
XLogP0.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-acetyl-3-fluoroazetidin-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-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
3-fluoro-3-(methoxymethyl)azetidine-1-carboxylic acid
CID 175890600
1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 592389
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 89224830
2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)morpholin-2-yl]acetic acid
CID 129451522
tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 118798667
1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
CID 131009500
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758683
(1S,5R)-3-acetyl-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 12033482

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid (CID 167720226) is 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid is CC(=O)N1CC(F)(CC(=O)O)C1.
What is the InChIKey of 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid?
The InChIKey is HYQKTUIBMBBCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c1-5(10)9-3-7(8,4-9)2-6(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid?
2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid has a molecular weight of 175.16 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid is sourced from PubChem (CID 167720226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).