tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate

C13H23NO5 — CID 11380287

IUPACtert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
SMILESC=CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9-14(10(15)17-12(2,3)4)19-11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
InChIKeyOWTLNQZSIHCEHY-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate

tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate (PubChem CID 11380287) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate.

Molecular Properties

Compound Nametert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
PubChem CID11380287
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
SMILESC=CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9-14(10(15)17-12(2,3)4)19-11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
InChIKeyOWTLNQZSIHCEHY-UHFFFAOYSA-N
XLogP3.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10741053
tert-butyl [[(E)-3-(4-methoxyphenyl)but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10834407
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
CID 59417245
methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyloxy]amino]hex-4-enoate
CID 11145189
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
CID 11405579
tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate
CID 68626406
tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate?
The IUPAC name of tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate (CID 11380287) is tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate.
What is the SMILES notation for tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate?
The canonical SMILES for tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate is C=CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate?
The InChIKey is OWTLNQZSIHCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8-9-14(10(15)17-12(2,3)4)19-11(16)18-13(5,6)7/h8H,1,9H2,2-7H3.
What are the key properties of tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate?
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate has a molecular weight of 273.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate is sourced from PubChem (CID 11380287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).