tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate

C12H19FN2O3 — CID 171608569

IUPACtert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2F)C1
InChIInChI=1S/C12H19FN2O3/c1-12(2,3)18-11(17)14-7-5-15(6-7)10(16)8-4-9(8)13/h7-9H,4-6H2,1-3H3,(H,14,17)/t8-,9+/m1/s1
InChIKeyUCKMTKXIHIVBDV-BDAKNGLRSA-N
MW258.29 g/mol
LogP1.08
Rot. Bonds2

About tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate

tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate (PubChem CID 171608569) has the molecular formula C12H19FN2O3 and a molecular weight of 258.29 g/mol. Its IUPAC name is tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
PubChem CID171608569
Molecular FormulaC12H19FN2O3
Molecular Weight258.29 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2F)C1
InChIInChI=1S/C12H19FN2O3/c1-12(2,3)18-11(17)14-7-5-15(6-7)10(16)8-4-9(8)13/h7-9H,4-6H2,1-3H3,(H,14,17)/t8-,9+/m1/s1
InChIKeyUCKMTKXIHIVBDV-BDAKNGLRSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 68804723
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018
tert-butyl N-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]azetidin-3-yl]carbamate
CID 169218891
tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
CID 102559856
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate (CID 171608569) is tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2F)C1.
What is the InChIKey of tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate?
The InChIKey is UCKMTKXIHIVBDV-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19FN2O3/c1-12(2,3)18-11(17)14-7-5-15(6-7)10(16)8-4-9(8)13/h7-9H,4-6H2,1-3H3,(H,14,17)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate?
tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate has a molecular weight of 258.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 171608569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).