methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate

C11H21NO2 — CID 79896779

IUPACmethyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate
SMILESCOC(=O)C=CN(C)C(C)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(11(2,3)4)12(5)8-7-10(13)14-6/h7-9H,1-6H3
InChIKeySLNFBYSMUFMJGU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds3

About methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate

methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate (PubChem CID 79896779) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate
PubChem CID79896779
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate
SMILESCOC(=O)C=CN(C)C(C)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(11(2,3)4)12(5)8-7-10(13)14-6/h7-9H,1-6H3
InChIKeySLNFBYSMUFMJGU-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(ditert-butylamino)prop-2-enoate
CID 551075
methyl 3-[1-cyanopropan-2-yl(methyl)amino]prop-2-enoate
CID 79897229
dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate
CID 79897133
methyl (E)-3-[propan-2-yl-(propan-2-ylideneamino)amino]prop-2-enoate
CID 6432607
CID 160615105
CID 160615105
methyl 3-[methyl(propyl)amino]prop-2-enoate
CID 79889861
methyl 5-(dimethylamino)penta-2,4-dienoate
CID 85176290
methyl (E)-5-methyl-4-oxohex-2-enoate
CID 11084121
methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate
CID 103247605
methyl (4S)-4-aminopent-2-enoate
CID 91583994
methyl 4-bromopent-2-enoate
CID 54128087

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate?
The IUPAC name of methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate (CID 79896779) is methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate?
The canonical SMILES for methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate is COC(=O)C=CN(C)C(C)C(C)(C)C.
What is the InChIKey of methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate?
The InChIKey is SLNFBYSMUFMJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(11(2,3)4)12(5)8-7-10(13)14-6/h7-9H,1-6H3.
What are the key properties of methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate?
methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate is sourced from PubChem (CID 79896779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).