(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid

C6H10FNO2 — CID 122170283

IUPAC(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1CCF
InChIInChI=1S/C6H10FNO2/c7-2-4-8-3-1-5(8)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyYIPZKIJOBAFVOB-YFKPBYRVSA-N
MW147.15 g/mol
LogP0.11
Rot. Bonds3

About (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid

(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid (PubChem CID 122170283) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid
PubChem CID122170283
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1CCF
InChIInChI=1S/C6H10FNO2/c7-2-4-8-3-1-5(8)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyYIPZKIJOBAFVOB-YFKPBYRVSA-N
XLogP0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butylazetidine-2-carboxylic acid
CID 296717
Medicanine
CID 101409750
1-(Propan-2-yl)azetidine-2-carboxylic acid
CID 282400
1-Cyclopentylazetidine-2-carboxylic acid
CID 4385243
1-(2,2,2-Trifluoroacetyl)azetidine-2-carboxylic acid
CID 10313535
(2R)-1-(Trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
(2S)-1-(Trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080924
(2R)-1-methylazetidine-2-carboxylic acid
CID 53793599
(2R)-1-propylazetidine-2-carboxylic acid
CID 54144027
(2R)-1-(propan-2-yl)azetidine-2-carboxylic acid
CID 54252462
2-Azetidinecarboxylic acid, 1-(3-hydroxypropyl)-, (2S)-
CID 131231389
1-acetylazetidine-2-carboxylic Acid
CID 10154107

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid (CID 122170283) is (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid is O=C(O)[C@@H]1CCN1CCF.
What is the InChIKey of (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid?
The InChIKey is YIPZKIJOBAFVOB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-2-4-8-3-1-5(8)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid?
(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 122170283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).