tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate

C13H22N2O4 — CID 166436055

IUPACtert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate
SMILESC=CC(=O)N(CC)CC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O4/c1-6-11(17)15(7-2)9-10(16)14-8-12(18)19-13(3,4)5/h6H,1,7-9H2,2-5H3,(H,14,16)
InChIKeyILXQGULLDWGXFE-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.48
Rot. Bonds6

About tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate

tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate (PubChem CID 166436055) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate
PubChem CID166436055
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate
SMILESC=CC(=O)N(CC)CC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O4/c1-6-11(17)15(7-2)9-10(16)14-8-12(18)19-13(3,4)5/h6H,1,7-9H2,2-5H3,(H,14,16)
InChIKeyILXQGULLDWGXFE-UHFFFAOYSA-N
XLogP0.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate 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 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate (CID 166436055) is tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate is C=CC(=O)N(CC)CC(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate?
The InChIKey is ILXQGULLDWGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-6-11(17)15(7-2)9-10(16)14-8-12(18)19-13(3,4)5/h6H,1,7-9H2,2-5H3,(H,14,16).
What are the key properties of tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate?
tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate has a molecular weight of 270.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 166436055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).