propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

C13H22N2O5 — CID 6422717

IUPACpropyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCC
InChIInChI=1S/C13H22N2O5/c1-5-7-19-12(17)10-14(3)11(16)9-15(4)13(18)20-8-6-2/h6H,2,5,7-10H2,1,3-4H3
InChIKeyXOLOBWBQHRRHLO-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.65
Rot. Bonds8

About propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 6422717) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID6422717
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namepropyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCC
InChIInChI=1S/C13H22N2O5/c1-5-7-19-12(17)10-14(3)11(16)9-15(4)13(18)20-8-6-2/h6H,2,5,7-10H2,1,3-4H3
InChIKeyXOLOBWBQHRRHLO-UHFFFAOYSA-N
XLogP0.65
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (CID 6422717) is propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is C=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCC.
What is the InChIKey of propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is XOLOBWBQHRRHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-5-7-19-12(17)10-14(3)11(16)9-15(4)13(18)20-8-6-2/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 286.33 g/mol, XLogP of 0.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6422717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).