1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid

C8H12FNO3 — CID 130561863

IUPAC1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid
SMILESCC(C)(F)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C8H12FNO3/c1-8(2,9)7(13)10-3-5(4-10)6(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyJLAYPJVDROBFIH-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.28
Rot. Bonds2

About 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid

1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid (PubChem CID 130561863) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid
PubChem CID130561863
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid
SMILESCC(C)(F)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C8H12FNO3/c1-8(2,9)7(13)10-3-5(4-10)6(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyJLAYPJVDROBFIH-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid (CID 130561863) is 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid is CC(C)(F)C(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid?
The InChIKey is JLAYPJVDROBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-8(2,9)7(13)10-3-5(4-10)6(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid?
1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid has a molecular weight of 189.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropanoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 130561863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).