ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate

C11H19NO4 — CID 59710928

IUPACethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate
SMILESCCOC(=O)CC(=O)C(C)(C)C(=O)N(C)C
InChIInChI=1S/C11H19NO4/c1-6-16-9(14)7-8(13)11(2,3)10(15)12(4)5/h6-7H2,1-5H3
InChIKeyFNWAZWYBYVQLKF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.62
Rot. Bonds5

About ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate

ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate (PubChem CID 59710928) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate.

Molecular Properties

Compound Nameethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate
PubChem CID59710928
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate
SMILESCCOC(=O)CC(=O)C(C)(C)C(=O)N(C)C
InChIInChI=1S/C11H19NO4/c1-6-16-9(14)7-8(13)11(2,3)10(15)12(4)5/h6-7H2,1-5H3
InChIKeyFNWAZWYBYVQLKF-UHFFFAOYSA-N
XLogP0.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-chloro-3-oxopropanoate;ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate;N,N,2-trimethyl-1-trimethylsilyloxyprop-1-en-1-amine
CID 157434220
ethyl 4,4,4-trifluoro-3-oxobutanoate;hydrate
CID 88628841
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
CID 10057807
ethyl 4,4,4-triethoxy-3-oxobutanoate;titanium
CID 161094525
ethyl 4,4-difluoro-4-iodo-3-oxobutanoate
CID 86650148
butane;diethyl propanedioate
CID 87110467
potassium;diethyl propanedioate;sulfanide
CID 159289328
diethyl (Z)-3,6-dioxooct-4-enedioate
CID 141136396
ethyl 4-[2,2-dimethylpropyl(methyl)amino]-3-oxobutanoate
CID 63897953
ethyl 4-[methyl(2-methylbutan-2-yl)amino]-3-oxobutanoate
CID 63966632

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate?
The IUPAC name of ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate (CID 59710928) is ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate.
What is the SMILES notation for ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate?
The canonical SMILES for ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate is CCOC(=O)CC(=O)C(C)(C)C(=O)N(C)C.
What is the InChIKey of ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate?
The InChIKey is FNWAZWYBYVQLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-16-9(14)7-8(13)11(2,3)10(15)12(4)5/h6-7H2,1-5H3.
What are the key properties of ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate?
ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate has a molecular weight of 229.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate is sourced from PubChem (CID 59710928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).