2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid

C9H16FNO2 — CID 162475432

IUPAC2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid
SMILESCC(C)(C)N1CC(F)(CC(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,3)11-5-9(10,6-11)4-7(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyCECCWWQGWLHKHG-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.28
Rot. Bonds2

About 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid

2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid (PubChem CID 162475432) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid
PubChem CID162475432
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid
SMILESCC(C)(C)N1CC(F)(CC(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,3)11-5-9(10,6-11)4-7(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyCECCWWQGWLHKHG-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
2-(3-Fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
CID 134533991
1-Tert-butyl-3-fluoroazetidine-2-carboxylic acid
CID 139341840
4-[Ethyl(propyl)amino]-2-fluorobutanoic acid
CID 145260101
2-[1-(3,3,3-Trifluoropropyl)azetidin-3-yl]acetic acid
CID 64617934
4-[2-Fluoroethyl(propan-2-yl)amino]butanoic acid
CID 80693665
2-[1-(2-Fluoroethyl)azetidin-3-yl]acetic acid
CID 80695766
4-[3-Fluoropropyl(propan-2-yl)amino]butanoic acid
CID 81113047
4-[3-Fluoropropyl(methyl)amino]butanoic acid
CID 81114003
2-[1-(3-Fluoropropyl)azetidin-3-yl]acetic acid
CID 81114712
2-[1-(3,3-Difluoropropyl)azetidin-3-yl]acetic acid
CID 84664519
2-[1-(2,2-Difluoropropyl)azetidin-3-yl]acetic acid
CID 84664524

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid (CID 162475432) is 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid is CC(C)(C)N1CC(F)(CC(=O)O)C1.
What is the InChIKey of 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid?
The InChIKey is CECCWWQGWLHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8(2,3)11-5-9(10,6-11)4-7(12)13/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid?
2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid has a molecular weight of 189.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3-fluoroazetidin-3-yl)acetic acid is sourced from PubChem (CID 162475432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).