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

C13H20N2O5 — CID 6422704

IUPACprop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC=C
InChIInChI=1S/C13H20N2O5/c1-5-7-19-12(17)10-14(3)11(16)9-15(4)13(18)20-8-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyQCOHFTLOSMKDQM-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.43
Rot. Bonds8

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

prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 6422704) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID6422704
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameprop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC=C
InChIInChI=1S/C13H20N2O5/c1-5-7-19-12(17)10-14(3)11(16)9-15(4)13(18)20-8-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyQCOHFTLOSMKDQM-UHFFFAOYSA-N
XLogP0.43
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.43
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 prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (CID 6422704) is prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is C=CCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is QCOHFTLOSMKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-5-7-19-12(17)10-14(3)11(16)9-15(4)13(18)20-8-6-2/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 284.31 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6422704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).