tert-butyl N-(1-propanoylazetidin-3-yl)carbamate

C11H20N2O3 — CID 163264454

IUPACtert-butyl N-(1-propanoylazetidin-3-yl)carbamate
SMILESCCC(=O)N1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-5-9(14)13-6-8(7-13)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyIQGLVNPPODTVEQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds2

About tert-butyl N-(1-propanoylazetidin-3-yl)carbamate

tert-butyl N-(1-propanoylazetidin-3-yl)carbamate (PubChem CID 163264454) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(1-propanoylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-propanoylazetidin-3-yl)carbamate
PubChem CID163264454
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(1-propanoylazetidin-3-yl)carbamate
SMILESCCC(=O)N1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-5-9(14)13-6-8(7-13)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyIQGLVNPPODTVEQ-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
CID 172648323
tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
CID 171608569
tert-butyl N-[(3R)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]carbamate
CID 70792371
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate
CID 175990105
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-propanoylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-propanoylazetidin-3-yl)carbamate (CID 163264454) is tert-butyl N-(1-propanoylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-propanoylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-propanoylazetidin-3-yl)carbamate is CCC(=O)N1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(1-propanoylazetidin-3-yl)carbamate?
The InChIKey is IQGLVNPPODTVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-9(14)13-6-8(7-13)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-(1-propanoylazetidin-3-yl)carbamate?
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 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-propanoylazetidin-3-yl)carbamate is sourced from PubChem (CID 163264454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).