tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate

C11H21FN2O2 — CID 105491312

IUPACtert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)CCN)C1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-8(7-14)9(12)4-5-13/h8-9H,4-7,13H2,1-3H3
InChIKeyZMIYBFDMBGATNN-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate

tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate (PubChem CID 105491312) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
PubChem CID105491312
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)CCN)C1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-8(7-14)9(12)4-5-13/h8-9H,4-7,13H2,1-3H3
InChIKeyZMIYBFDMBGATNN-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
(2S)-2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 124573048
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
CID 83910033
tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate
CID 115050841
tert-butyl 3-[cyano(fluoro)methyl]azetidine-1-carboxylate
CID 135392721
tert-butyl 3-(aminomethyl)-4-(2-fluoropropyl)pyrrolidine-1-carboxylate
CID 115048631
tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate
CID 115046306
tert-butyl 3-[(2R)-1-ethoxy-1-oxopropan-2-yl]azetidine-1-carboxylate
CID 97300225
tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate
CID 18699828
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate (CID 105491312) is tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(F)CCN)C1.
What is the InChIKey of tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate?
The InChIKey is ZMIYBFDMBGATNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-8(7-14)9(12)4-5-13/h8-9H,4-7,13H2,1-3H3.
What are the key properties of tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate?
tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate is sourced from PubChem (CID 105491312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).