methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate

C10H19NO3 — CID 15577744

IUPACmethyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate
SMILESCCN(CC)C(=O)C(C)(C)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-6-11(7-2)8(12)10(3,4)9(13)14-5/h6-7H2,1-5H3
InChIKeyIHMYYCUCTOROSU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate

methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate (PubChem CID 15577744) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate
PubChem CID15577744
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate
SMILESCCN(CC)C(=O)C(C)(C)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-6-11(7-2)8(12)10(3,4)9(13)14-5/h6-7H2,1-5H3
InChIKeyIHMYYCUCTOROSU-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate?
The IUPAC name of methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate (CID 15577744) is methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate?
The canonical SMILES for methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate is CCN(CC)C(=O)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate?
The InChIKey is IHMYYCUCTOROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-11(7-2)8(12)10(3,4)9(13)14-5/h6-7H2,1-5H3.
What are the key properties of methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate?
methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-2,2-dimethyl-3-oxopropanoate is sourced from PubChem (CID 15577744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).