3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid

C10H16FNO4 — CID 138689957

IUPAC3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)C1(F)CN(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)6-16-7(13)10(11)4-12(5-10)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyZBEXCSYLJVGPPJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.28
Rot. Bonds2

About 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid

3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid (PubChem CID 138689957) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid
PubChem CID138689957
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)C1(F)CN(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)6-16-7(13)10(11)4-12(5-10)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyZBEXCSYLJVGPPJ-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

Analyze 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic 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

1-[(tert-Butoxy)carbonyl]-3-(fluoromethyl)azetidine-3-carboxylic acid
CID 58438919
1-(1-Fluorobutoxycarbonyl)azetidine-3-carboxylic acid
CID 68871527
1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate
CID 69368885
3-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-1-carboxylic acid
CID 89542446
1-Tert-butyl 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate
CID 135392979
1-O-tert-butyl 3-O-(fluoromethyl) 3-methylazetidine-1,3-dicarboxylate
CID 175394169
1-O-tert-butyl 3-O-ethyl 3-(trifluoromethyl)azetidine-1,3-dicarboxylate
CID 178013700
O1-tert-butyl O3-ethyl 3-(difluoromethyl)azetidine-1,3-dicarboxylate
CID 177926284
3-Methoxycarbonyl-3-methylazetidine-1-carboxylic acid
CID 69403824
3-Methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-1-carboxylic acid
CID 90219659
1-Butoxycarbonyl-3-methylazetidine-3-carboxylic acid
CID 90812672
3-Ethoxycarbonylazetidine-1-carboxylic acid
CID 137480158

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid (CID 138689957) is 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid is CC(C)(C)COC(=O)C1(F)CN(C(=O)O)C1.
What is the InChIKey of 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid?
The InChIKey is ZBEXCSYLJVGPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-9(2,3)6-16-7(13)10(11)4-12(5-10)8(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid?
3-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-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-(2,2-dimethylpropoxycarbonyl)-3-fluoroazetidine-1-carboxylic acid is sourced from PubChem (CID 138689957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).