tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate

C10H18N2O3 — CID 11715473

IUPACtert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate
SMILESC=CCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-5-6-11-8(13)7-12-9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14)
InChIKeyUMRIYZCGYZMVSI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.81
Rot. Bonds4

About tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate (PubChem CID 11715473) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate
PubChem CID11715473
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate
SMILESC=CCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-5-6-11-8(13)7-12-9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14)
InChIKeyUMRIYZCGYZMVSI-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate (CID 11715473) is tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate is C=CCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate?
The InChIKey is UMRIYZCGYZMVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-6-11-8(13)7-12-9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(prop-2-enylamino)ethyl]carbamate is sourced from PubChem (CID 11715473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).