tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate

C15H26N2O3 — CID 131732612

IUPACtert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
SMILESC=CCN(CC=C)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-6-8-17(9-7-2)13-11-19-10-12(13)16-14(18)20-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3,(H,16,18)/t12-,13-/m1/s1
InChIKeyFYYMRMRBXHZHOS-CHWSQXEVSA-N
MW282.38 g/mol
LogP1.95
Rot. Bonds6

About tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate (PubChem CID 131732612) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
PubChem CID131732612
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
SMILESC=CCN(CC=C)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-6-8-17(9-7-2)13-11-19-10-12(13)16-14(18)20-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3,(H,16,18)/t12-,13-/m1/s1
InChIKeyFYYMRMRBXHZHOS-CHWSQXEVSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate
CID 130435677
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[methyl(prop-2-enyl)amino]carbamate
CID 177168353
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(2S,3S)-2-(hydroxymethyl)oxetan-3-yl]carbamate
CID 24774076
tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
CID 68975767
tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate
CID 123354252
tert-butyl N-[(3R,4S)-4-cyanooxan-3-yl]carbamate
CID 171441505

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate (CID 131732612) is tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate is C=CCN(CC=C)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The InChIKey is FYYMRMRBXHZHOS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-8-17(9-7-2)13-11-19-10-12(13)16-14(18)20-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3,(H,16,18)/t12-,13-/m1/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate is sourced from PubChem (CID 131732612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).