methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate

C10H19NO2 — CID 114448928

IUPACmethyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
SMILESC=C(C)CCN(C)CCC(=O)OC
InChIInChI=1S/C10H19NO2/c1-9(2)5-7-11(3)8-6-10(12)13-4/h1,5-8H2,2-4H3
InChIKeyIOZHISMPAGYTSE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds6

About methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate

methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate (PubChem CID 114448928) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
PubChem CID114448928
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
SMILESC=C(C)CCN(C)CCC(=O)OC
InChIInChI=1S/C10H19NO2/c1-9(2)5-7-11(3)8-6-10(12)13-4/h1,5-8H2,2-4H3
InChIKeyIOZHISMPAGYTSE-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[methyl(3-methylbut-3-enyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate (CID 114448928) is methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate is C=C(C)CCN(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate?
The InChIKey is IOZHISMPAGYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)5-7-11(3)8-6-10(12)13-4/h1,5-8H2,2-4H3.
What are the key properties of methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate?
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate is sourced from PubChem (CID 114448928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).