tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate

C12H22N2O4 — CID 59837873

IUPACtert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C\NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)/b8-7-
InChIKeyXSSFACKQPNISBT-FPLPWBNLSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate

tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate (PubChem CID 59837873) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
PubChem CID59837873
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C\NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)/b8-7-
InChIKeyXSSFACKQPNISBT-FPLPWBNLSA-N
XLogP2.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate (CID 59837873) is tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate is CC(C)(C)OC(=O)N/C=C\NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The InChIKey is XSSFACKQPNISBT-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)/b8-7-.
What are the key properties of tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate is sourced from PubChem (CID 59837873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).