methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate

C13H21NO5 — CID 20826105

IUPACmethyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate
SMILESC=C(C)C(=O)OC(CC(C)C(=O)OC)C(=O)N(C)C
InChIInChI=1S/C13H21NO5/c1-8(2)12(16)19-10(11(15)14(4)5)7-9(3)13(17)18-6/h9-10H,1,7H2,2-6H3
InChIKeyFFIHWEDTKALTOE-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.76
Rot. Bonds6

About methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate

methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate (PubChem CID 20826105) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate
PubChem CID20826105
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate
SMILESC=C(C)C(=O)OC(CC(C)C(=O)OC)C(=O)N(C)C
InChIInChI=1S/C13H21NO5/c1-8(2)12(16)19-10(11(15)14(4)5)7-9(3)13(17)18-6/h9-10H,1,7H2,2-6H3
InChIKeyFFIHWEDTKALTOE-UHFFFAOYSA-N
XLogP0.76
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate
CID 89116228
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
propan-2-yl 2-methylprop-2-enoate
CID 146421311
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
3-methoxycarbonyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 87140366
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
butyl prop-2-enoate;dimethyl 2-bromo-4-methylpentanedioate;dimethyl 2-methyl-4-(2-oxopropanoyloxy)pentanedioate;2-methylprop-2-enoic acid
CID 158934273
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate?
The IUPAC name of methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate (CID 20826105) is methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate?
The canonical SMILES for methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate is C=C(C)C(=O)OC(CC(C)C(=O)OC)C(=O)N(C)C.
What is the InChIKey of methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate?
The InChIKey is FFIHWEDTKALTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-8(2)12(16)19-10(11(15)14(4)5)7-9(3)13(17)18-6/h9-10H,1,7H2,2-6H3.
What are the key properties of methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate?
methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate has a molecular weight of 271.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate is sourced from PubChem (CID 20826105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).