methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate

C12H20N2O3 — CID 65474405

IUPACmethyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C12H20N2O3/c1-5-7-14(8-6-2)9-11(12(16)17-4)13-10(3)15/h5-6,11H,1-2,7-9H2,3-4H3,(H,13,15)
InChIKeyVMFZODLPOFBHAT-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.34
Rot. Bonds8

About methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate

methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate (PubChem CID 65474405) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate
PubChem CID65474405
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C12H20N2O3/c1-5-7-14(8-6-2)9-11(12(16)17-4)13-10(3)15/h5-6,11H,1-2,7-9H2,3-4H3,(H,13,15)
InChIKeyVMFZODLPOFBHAT-UHFFFAOYSA-N
XLogP0.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate (CID 65474405) is methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate is C=CCN(CC=C)CC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate?
The InChIKey is VMFZODLPOFBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-7-14(8-6-2)9-11(12(16)17-4)13-10(3)15/h5-6,11H,1-2,7-9H2,3-4H3,(H,13,15).
What are the key properties of methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate?
methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate has a molecular weight of 240.30 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[bis(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 65474405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).