tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene

C12H26N2O3 — CID 144701048

IUPACtert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
SMILESC=CC.CC.CC(C)(C)OC(=O)NCC(N)=O
InChIInChI=1S/C7H14N2O3.C3H6.C2H6/c1-7(2,3)12-6(11)9-4-5(8)10;1-3-2;1-2/h4H2,1-3H3,(H2,8,10)(H,9,11);3H,1H2,2H3;1-2H3
InChIKeyQJEFJFIMYDNAOL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene

tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene (PubChem CID 144701048) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
PubChem CID144701048
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
SMILESC=CC.CC.CC(C)(C)OC(=O)NCC(N)=O
InChIInChI=1S/C7H14N2O3.C3H6.C2H6/c1-7(2,3)12-6(11)9-4-5(8)10;1-3-2;1-2/h4H2,1-3H3,(H2,8,10)(H,9,11);3H,1H2,2H3;1-2H3
InChIKeyQJEFJFIMYDNAOL-UHFFFAOYSA-N
XLogP2.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-(2-oxohex-5-enyl)carbamate
CID 178201050
[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
tert-butyl N-[2-(chloromethyl)-3-fluoroprop-2-enyl]carbamate
CID 153388228
tert-butyl N-(4-chloro-2,3-dimethylidenehex-4-enyl)carbamate
CID 123784488
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene?
The IUPAC name of tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene (CID 144701048) is tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene.
What is the SMILES notation for tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene?
The canonical SMILES for tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene is C=CC.CC.CC(C)(C)OC(=O)NCC(N)=O.
What is the InChIKey of tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene?
The InChIKey is QJEFJFIMYDNAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.C3H6.C2H6/c1-7(2,3)12-6(11)9-4-5(8)10;1-3-2;1-2/h4H2,1-3H3,(H2,8,10)(H,9,11);3H,1H2,2H3;1-2H3.
What are the key properties of tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene?
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene has a molecular weight of 246.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene is sourced from PubChem (CID 144701048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).