methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate

C11H21NO3 — CID 103266527

IUPACmethyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
SMILESCOC(=O)C(C)=CCNCCOC(C)C
InChIInChI=1S/C11H21NO3/c1-9(2)15-8-7-12-6-5-10(3)11(13)14-4/h5,9,12H,6-8H2,1-4H3
InChIKeyXVZKSMVUBHGLEJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds7

About methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate

methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate (PubChem CID 103266527) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
PubChem CID103266527
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
SMILESCOC(=O)C(C)=CCNCCOC(C)C
InChIInChI=1S/C11H21NO3/c1-9(2)15-8-7-12-6-5-10(3)11(13)14-4/h5,9,12H,6-8H2,1-4H3
InChIKeyXVZKSMVUBHGLEJ-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate
CID 77075097
methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate
CID 103266852
methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
CID 103249206
methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
CID 106340200
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
CID 106547392
methyl 2-methyl-4-(2-prop-2-ynylsulfanylethylamino)but-2-enoate
CID 106429936
methyl (Z)-2-methyl-4-(3-methylpentan-2-ylamino)but-2-enoate
CID 104577680
methyl 4-[[(1R)-1-cyclopentylethyl]amino]-2-methylbut-2-enoate
CID 103260025
methyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-2-methylbut-2-enoate
CID 103265827
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480
methyl 2-methyl-4-(1,2,4-oxadiazol-3-ylmethylamino)but-2-enoate
CID 106401784
methyl 4-(tert-butylamino)-2-methylbut-2-enoate
CID 103728179

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate (CID 103266527) is methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate is COC(=O)C(C)=CCNCCOC(C)C.
What is the InChIKey of methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate?
The InChIKey is XVZKSMVUBHGLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)15-8-7-12-6-5-10(3)11(13)14-4/h5,9,12H,6-8H2,1-4H3.
What are the key properties of methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate?
methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate has a molecular weight of 215.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate is sourced from PubChem (CID 103266527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).