tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate

C12H20N2O3 — CID 73110709

IUPACtert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate
SMILESC=CCN1C(=O)C(NC(=O)OC(C)(C)C)C1C
InChIInChI=1S/C12H20N2O3/c1-6-7-14-8(2)9(10(14)15)13-11(16)17-12(3,4)5/h6,8-9H,1,7H2,2-5H3,(H,13,16)
InChIKeySKOZQTFFZVBZQN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.30
Rot. Bonds3

About tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate

tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate (PubChem CID 73110709) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate
PubChem CID73110709
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate
SMILESC=CCN1C(=O)C(NC(=O)OC(C)(C)C)C1C
InChIInChI=1S/C12H20N2O3/c1-6-7-14-8(2)9(10(14)15)13-11(16)17-12(3,4)5/h6,8-9H,1,7H2,2-5H3,(H,13,16)
InChIKeySKOZQTFFZVBZQN-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
CID 18640037
methoxy-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]phosphinate
CID 131713942
tert-butyl N-[(2R,3S)-2-ethyl-1-formyl-4-oxoazetidin-3-yl]carbamate
CID 131076113
tert-butyl N-[(2R,4S,5S)-2-but-3-enyl-4-methyl-6-oxo-1,3-dioxan-5-yl]carbamate
CID 118425564
tert-butyl N-[(4R)-6-but-3-enyl-4-methyl-2-oxooxan-3-yl]carbamate
CID 89182531
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
CID 130985784
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
CID 14329172
(4-nitrophenyl)methyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetate
CID 13489005
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
tert-butyl (3S,6R,7R)-7-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate
CID 155622644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate (CID 73110709) is tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate is C=CCN1C(=O)C(NC(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate?
The InChIKey is SKOZQTFFZVBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-7-14-8(2)9(10(14)15)13-11(16)17-12(3,4)5/h6,8-9H,1,7H2,2-5H3,(H,13,16).
What are the key properties of tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate?
tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-4-oxo-1-prop-2-enylazetidin-3-yl)carbamate is sourced from PubChem (CID 73110709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).