methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate

C8H15NO3 — CID 18683058

IUPACmethyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate
SMILESCCN(C)C(=O)C(C)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-5-9(3)7(10)6(2)8(11)12-4/h6H,5H2,1-4H3
InChIKeyFMJYCCNRHDLUES-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds3

About methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate

methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate (PubChem CID 18683058) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate
PubChem CID18683058
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate
SMILESCCN(C)C(=O)C(C)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-5-9(3)7(10)6(2)8(11)12-4/h6H,5H2,1-4H3
InChIKeyFMJYCCNRHDLUES-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
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

Methyl 2-(dimethylcarbamoyl)acetate
CID 11679835
Methyl 3-oxo-3-(pyrrolidin-1-yl)propanoate
CID 12647629
Ethyl 3-(diethylamino)-3-oxopropanoate
CID 287073
Ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate
CID 12843609
ethyl N-ethoxycarbonylacetyl-3-ethylaminopropionate
CID 13784117
Methyl 2-(diethylcarbamoyl)-3,3,3-trifluoropropanoate
CID 12506159
methyl (2S)-3-[fluoromethyl(methyl)amino]-2-methyl-3-oxopropanoate
CID 126669201
Ethyl 2-(diethylcarbamoyl)-3,3,3-trifluoropropanoate
CID 12506160
Methyl 2-methyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61598927
Methyl 2-methyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 61599133
Methyl 3-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoate
CID 84355735
Methyl 3-[(2,2-difluoroacetyl)-methylamino]-2-methylpropanoate
CID 103514341

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate?
The IUPAC name of methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate (CID 18683058) is methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate?
The canonical SMILES for methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate is CCN(C)C(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate?
The InChIKey is FMJYCCNRHDLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-9(3)7(10)6(2)8(11)12-4/h6H,5H2,1-4H3.
What are the key properties of methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate?
methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(methyl)amino]-2-methyl-3-oxopropanoate is sourced from PubChem (CID 18683058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).