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

C9H17NO3 — CID 174735355

IUPACmethyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate
SMILESCCN(C)C(C)(C(C)=O)C(=O)OC
InChIInChI=1S/C9H17NO3/c1-6-10(4)9(3,7(2)11)8(12)13-5/h6H2,1-5H3
InChIKeyCZROGJRMAGLNER-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.46
Rot. Bonds4

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

methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate (PubChem CID 174735355) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate
PubChem CID174735355
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate
SMILESCCN(C)C(C)(C(C)=O)C(=O)OC
InChIInChI=1S/C9H17NO3/c1-6-10(4)9(3,7(2)11)8(12)13-5/h6H2,1-5H3
InChIKeyCZROGJRMAGLNER-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.46
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

methyl (2S)-2-ethyl-2-methyl-3-oxobutanoate
CID 131227877
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
dimethyl 2-acetyl-2-methylbutanedioate
CID 131852792
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 2-acetyl-2-hydroxy-3-oxobutanoate
CID 59771908
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709198
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64711212
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
2-[ethyl(methyl)amino]-2-methylpropanehydrazide
CID 130636692
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate?
The IUPAC name of methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate (CID 174735355) is methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate.
What is the SMILES notation for methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate?
The canonical SMILES for methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate is CCN(C)C(C)(C(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate?
The InChIKey is CZROGJRMAGLNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-10(4)9(3,7(2)11)8(12)13-5/h6H2,1-5H3.
What are the key properties of methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate?
methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate is sourced from PubChem (CID 174735355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).