3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

C10H16FNO4 — CID 58438919

IUPAC3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(CF)(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyVEHPOVZSFFEDCH-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.28
Rot. Bonds2

About 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (PubChem CID 58438919) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
PubChem CID58438919
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(CF)(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyVEHPOVZSFFEDCH-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (CID 58438919) is 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC(CF)(C(=O)O)C1.
What is the InChIKey of 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The InChIKey is VEHPOVZSFFEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 58438919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).