methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate

C10H19NO2 — CID 76886619

IUPACmethyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
SMILESCC=CCN(C)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-7-11(3)8-9(2)10(12)13-4/h5-6,9H,7-8H2,1-4H3
InChIKeyMRJFFXIQMAFZMQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.30
Rot. Bonds5

About methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate

methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate (PubChem CID 76886619) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
PubChem CID76886619
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
SMILESCC=CCN(C)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-7-11(3)8-9(2)10(12)13-4/h5-6,9H,7-8H2,1-4H3
InChIKeyMRJFFXIQMAFZMQ-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
CID 55183278
methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
CID 114448878
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385

Frequently Asked Questions

What is the IUPAC name of methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate (CID 76886619) is methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate is CC=CCN(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate?
The InChIKey is MRJFFXIQMAFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-11(3)8-9(2)10(12)13-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate?
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 76886619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).