3-fluoro-1-methylazetidine-3-carboxylic acid

C5H8FNO2 — CID 67111588

IUPAC3-fluoro-1-methylazetidine-3-carboxylic acid
SMILESCN1CC(F)(C(=O)O)C1
InChIInChI=1S/C5H8FNO2/c1-7-2-5(6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyWZJONLLQEWSRGX-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.28
Rot. Bonds1

About 3-fluoro-1-methylazetidine-3-carboxylic acid

3-fluoro-1-methylazetidine-3-carboxylic acid (PubChem CID 67111588) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 3-fluoro-1-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-methylazetidine-3-carboxylic acid
PubChem CID67111588
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name3-fluoro-1-methylazetidine-3-carboxylic acid
SMILESCN1CC(F)(C(=O)O)C1
InChIInChI=1S/C5H8FNO2/c1-7-2-5(6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyWZJONLLQEWSRGX-UHFFFAOYSA-N
XLogP-0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylazetidine-3-carboxylic acid
CID 20653078
1-(2-Methylpropyl)azetidine-3-carboxylic acid
CID 21935217
1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
3-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875
3-(Azetidin-1-yl)propanoic acid hydrochloride
CID 165605407
3-(Dimethylamino)-2,2-dimethylpropanoic acid
CID 285609
3-(Dimethylamino)-2-methylpropanoic acid
CID 14073324
1-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 64258950
1-(3,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 64566941
1-(1,1,1-Trifluoropropan-2-yl)azetidine-3-carboxylic acid
CID 67322346
1-(2-Fluoroethyl)azetidine-3-carboxylic acid
CID 80695260
2-[(Dimethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 80996003

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylazetidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-methylazetidine-3-carboxylic acid (CID 67111588) is 3-fluoro-1-methylazetidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-methylazetidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-methylazetidine-3-carboxylic acid is CN1CC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-methylazetidine-3-carboxylic acid?
The InChIKey is WZJONLLQEWSRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c1-7-2-5(6,3-7)4(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 3-fluoro-1-methylazetidine-3-carboxylic acid?
3-fluoro-1-methylazetidine-3-carboxylic acid has a molecular weight of 133.12 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 67111588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).