methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate

C13H23NO2 — CID 101011628

IUPACmethyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
SMILESC=C(C)CN(CC(=C)C(=O)OC)C(C)(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)8-14(13(4,5)6)9-11(3)12(15)16-7/h1,3,8-9H2,2,4-7H3
InChIKeyIVVYBZMTOQTYKK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate

methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate (PubChem CID 101011628) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
PubChem CID101011628
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
SMILESC=C(C)CN(CC(=C)C(=O)OC)C(C)(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)8-14(13(4,5)6)9-11(3)12(15)16-7/h1,3,8-9H2,2,4-7H3
InChIKeyIVVYBZMTOQTYKK-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
CID 101007571
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
CID 112616658
hydron;methyl 2-methylidenebutanoate
CID 174760127
3-methoxycarbonylbut-3-enoic acid
CID 4613903
methyl 2-[(N-acetylanilino)methyl]prop-2-enoate
CID 122402502
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
methyl 2-(diethylamino)prop-2-enoate
CID 14744312
dipotassium;dimethyl 2-methylidenebutanedioate;hydride
CID 174338040
methyl 2-(methylsulfanylmethyl)prop-2-enoate
CID 10749323
methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate
CID 58805775
methyl 2-methylprop-2-enoate;nickel
CID 88732958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate (CID 101011628) is methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate is C=C(C)CN(CC(=C)C(=O)OC)C(C)(C)C.
What is the InChIKey of methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
The InChIKey is IVVYBZMTOQTYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)8-14(13(4,5)6)9-11(3)12(15)16-7/h1,3,8-9H2,2,4-7H3.
What are the key properties of methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 101011628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).