prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate

C15H24N2O5 — CID 91717713

IUPACprop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
SMILESC=CCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCC=C
InChIInChI=1S/C15H24N2O5/c1-7-9-21-14(19)12(4)16(5)13(18)11(3)17(6)15(20)22-10-8-2/h7-8,11-12H,1-2,9-10H2,3-6H3
InChIKeyVYLKANJFFIZFMC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.21
Rot. Bonds8

About prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate

prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate (PubChem CID 91717713) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
PubChem CID91717713
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nameprop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
SMILESC=CCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCC=C
InChIInChI=1S/C15H24N2O5/c1-7-9-21-14(19)12(4)16(5)13(18)11(3)17(6)15(20)22-10-8-2/h7-8,11-12H,1-2,9-10H2,3-6H3
InChIKeyVYLKANJFFIZFMC-UHFFFAOYSA-N
XLogP1.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.21
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]propanoyl]amino]propanoate?
The IUPAC name of prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate (CID 91717713) is prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate.
What is the SMILES notation for prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate?
The canonical SMILES for prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate is C=CCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate?
The InChIKey is VYLKANJFFIZFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-7-9-21-14(19)12(4)16(5)13(18)11(3)17(6)15(20)22-10-8-2/h7-8,11-12H,1-2,9-10H2,3-6H3.
What are the key properties of prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate?
prop-2-enyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate has a molecular weight of 312.37 g/mol, XLogP of 1.21, 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]propanoyl]amino]propanoate is sourced from PubChem (CID 91717713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).