2-fluoro-2-(1-methylazetidin-3-yl)acetic acid

C6H10FNO2 — CID 105429001

IUPAC2-fluoro-2-(1-methylazetidin-3-yl)acetic acid
SMILESCN1CC(C(F)C(=O)O)C1
InChIInChI=1S/C6H10FNO2/c1-8-2-4(3-8)5(7)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyIJTLOYNQTZCHMR-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.03
Rot. Bonds2

About 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid

2-fluoro-2-(1-methylazetidin-3-yl)acetic acid (PubChem CID 105429001) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-methylazetidin-3-yl)acetic acid
PubChem CID105429001
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name2-fluoro-2-(1-methylazetidin-3-yl)acetic acid
SMILESCN1CC(C(F)C(=O)O)C1
InChIInChI=1S/C6H10FNO2/c1-8-2-4(3-8)5(7)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyIJTLOYNQTZCHMR-UHFFFAOYSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylazetidin-3-yl)acetic acid hydrochloride
CID 121553029
3-((Dimethylamino)methyl)-4,4-difluorobutanoic acid hydrochloride
CID 155819878
2-(1-Ethylazetidin-3-yl)acetic acid hydrochloride
CID 170915600
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
4-(Dimethylamino)-2-fluorobutanoic acid
CID 84020804
(2R)-4-(dimethylamino)-2-fluorobutanoic acid
CID 124151568
(2S)-4-(dimethylamino)-2-fluorobutanoic acid
CID 124151594
(2R)-4-(dimethylamino)-2-(trifluoromethyl)butanoic acid;hydrochloride
CID 124151602
4-(3,3-Difluoroazetidin-1-yl)butanoic acid
CID 132236526
2-(3-Fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
CID 134533991
4-[Fluoro(methyl)amino]-2-methylbutanoic acid
CID 143059202
4-(Dimethylamino)-2-(fluoromethyl)butanoic acid
CID 145260125

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid (CID 105429001) is 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid is CN1CC(C(F)C(=O)O)C1.
What is the InChIKey of 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid?
The InChIKey is IJTLOYNQTZCHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-8-2-4(3-8)5(7)6(9)10/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid?
2-fluoro-2-(1-methylazetidin-3-yl)acetic acid has a molecular weight of 147.15 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylazetidin-3-yl)acetic acid is sourced from PubChem (CID 105429001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).