3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid

C10H18FNO2 — CID 162475426

IUPAC3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid
SMILESCC(C)(C)N1CC(F)(CCC(=O)O)C1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)12-6-10(11,7-12)5-4-8(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyOHTIUYWNVTYHPH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.67
Rot. Bonds3

About 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid

3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid (PubChem CID 162475426) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid
PubChem CID162475426
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid
SMILESCC(C)(C)N1CC(F)(CCC(=O)O)C1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)12-6-10(11,7-12)5-4-8(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyOHTIUYWNVTYHPH-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-fluorocyclopropyl)propanoic acid
CID 84762335
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
2-(1-tert-butyl-2-methylaziridin-2-yl)acetic acid
CID 175109061
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
CID 65464697
2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methylsulfanyl]acetic acid
CID 139341867
3-(4-tert-butylpiperazin-1-yl)sulfonylpropanoic acid
CID 61432663
4-[(1-tert-butyl-3-fluoroazetidin-3-yl)methyl]aniline
CID 118903330
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899
2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid
CID 162475430
5,5-difluorohexanoic acid
CID 53418167
5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 176993044
2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid?
The IUPAC name of 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid (CID 162475426) is 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid is CC(C)(C)N1CC(F)(CCC(=O)O)C1.
What is the InChIKey of 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid?
The InChIKey is OHTIUYWNVTYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-9(2,3)12-6-10(11,7-12)5-4-8(13)14/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid?
3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid has a molecular weight of 203.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid is sourced from PubChem (CID 162475426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).