methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide

C14H26N2O3 — CID 174514180

IUPACmethyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide
SMILESC=C(C(=O)OC)C(C)NC(C)(C)C.C=C(C)C(N)=O
InChIInChI=1S/C10H19NO2.C4H7NO/c1-7(9(12)13-6)8(2)11-10(3,4)5;1-3(2)4(5)6/h8,11H,1H2,2-6H3;1H2,2H3,(H2,5,6)
InChIKeyDYZMHJKIOCYMIB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.54
Rot. Bonds4

About methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide

methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide (PubChem CID 174514180) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide.

Molecular Properties

Compound Namemethyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide
PubChem CID174514180
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide
SMILESC=C(C(=O)OC)C(C)NC(C)(C)C.C=C(C)C(N)=O
InChIInChI=1S/C10H19NO2.C4H7NO/c1-7(9(12)13-6)8(2)11-10(3,4)5;1-3(2)4(5)6/h8,11H,1H2,2-6H3;1H2,2H3,(H2,5,6)
InChIKeyDYZMHJKIOCYMIB-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(tert-butylamino)propanamide
CID 122595245
1,1-dimethoxyethane;2-methylprop-2-enamide
CID 158750658
methyl 3-methyl-2-methylidenebutanoate
CID 534902
dimethyl 2-fluoro-3-methylidenebutanedioate
CID 90023364
dimethyl 2-methyl-3-oxobutanedioate;formaldehyde;methyl 2-methylprop-2-enoate;molecular iodine
CID 161087887
[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
CID 141211213
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
2-methylprop-2-enamide;hydrate
CID 88749193
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
[2-(tert-butylamino)-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 22750442

Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide?
The IUPAC name of methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide (CID 174514180) is methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide.
What is the SMILES notation for methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide?
The canonical SMILES for methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide is C=C(C(=O)OC)C(C)NC(C)(C)C.C=C(C)C(N)=O.
What is the InChIKey of methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide?
The InChIKey is DYZMHJKIOCYMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C4H7NO/c1-7(9(12)13-6)8(2)11-10(3,4)5;1-3(2)4(5)6/h8,11H,1H2,2-6H3;1H2,2H3,(H2,5,6).
What are the key properties of methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide?
methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide has a molecular weight of 270.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tert-butylamino)-2-methylidenebutanoate;2-methylprop-2-enamide is sourced from PubChem (CID 174514180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).