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

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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).