methyl 3-(dimethylamino)-3-oxopropanoate

C6H11NO3 — CID 11679835

IUPACmethyl 3-(dimethylamino)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N(C)C
InChIInChI=1S/C6H11NO3/c1-7(2)5(8)4-6(9)10-3/h4H2,1-3H3
InChIKeyGSROVVPYJBMJMI-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.36
Rot. Bonds2

About methyl 3-(dimethylamino)-3-oxopropanoate

methyl 3-(dimethylamino)-3-oxopropanoate (PubChem CID 11679835) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-3-oxopropanoate
PubChem CID11679835
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-(dimethylamino)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N(C)C
InChIInChI=1S/C6H11NO3/c1-7(2)5(8)4-6(9)10-3/h4H2,1-3H3
InChIKeyGSROVVPYJBMJMI-UHFFFAOYSA-N
XLogP-0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.36
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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Related Compounds

3-(Dimethylamino)-3-oxopropanoic acid
CID 13627061
Ethyl 3-(dimethylamino)-3-oxopropanoate
CID 258391
methyl (2S)-3-[fluoromethyl(methyl)amino]-2-methyl-3-oxopropanoate
CID 126669201
[3-(Dimethylamino)-3-oxopropyl] acetate
CID 131851081
Ethyl 3-(dimethylamino)-2,2-difluoro-3-oxopropanoate
CID 121234648
Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester
CID 12249488
Methyl 3-(methylamino)-3-oxopropanoate
CID 12647636
Methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate
CID 18683058
3-(Dimethylamino)-3-oxopropaneperoxoic acid
CID 18684763
Methyl 3-[acetyl(methyl)amino]propanoate
CID 20720188
[3-(Dimethylamino)-3-oxopropyl] formate
CID 53995595
Methyl 3-[carbonochloridoyl(methyl)amino]-3-oxopropanoate
CID 54412593

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-3-oxopropanoate?
The IUPAC name of methyl 3-(dimethylamino)-3-oxopropanoate (CID 11679835) is methyl 3-(dimethylamino)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-3-oxopropanoate?
The canonical SMILES for methyl 3-(dimethylamino)-3-oxopropanoate is COC(=O)CC(=O)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-3-oxopropanoate?
The InChIKey is GSROVVPYJBMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7(2)5(8)4-6(9)10-3/h4H2,1-3H3.
What are the key properties of methyl 3-(dimethylamino)-3-oxopropanoate?
methyl 3-(dimethylamino)-3-oxopropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-3-oxopropanoate is sourced from PubChem (CID 11679835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).