tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate

C12H22N2O3 — CID 146600918

IUPACtert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
SMILESCC(C)C(=O)N1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)10(15)14-6-9(7-14)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)
InChIKeyCGGIQONXPHTAHL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate

tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate (PubChem CID 146600918) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
PubChem CID146600918
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
SMILESCC(C)C(=O)N1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)10(15)14-6-9(7-14)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)
InChIKeyCGGIQONXPHTAHL-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
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-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
CID 171608569
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
CID 175191269
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
CID 130475488
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[(3R)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]carbamate
CID 70792371
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
CID 168817443
tert-butyl N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 67774386
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate (CID 146600918) is tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate is CC(C)C(=O)N1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate?
The InChIKey is CGGIQONXPHTAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)10(15)14-6-9(7-14)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16).
What are the key properties of tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate?
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 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-(2-methylpropanoyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 146600918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).