methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate

C11H21NO3 — CID 115174771

IUPACmethyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
SMILESCOC(=O)C(C)(C)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)12(6)8(13)11(4,5)9(14)15-7/h1-7H3
InChIKeyILSLPFPINYSCQT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds2

About methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate

methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate (PubChem CID 115174771) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
PubChem CID115174771
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
SMILESCOC(=O)C(C)(C)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)12(6)8(13)11(4,5)9(14)15-7/h1-7H3
InChIKeyILSLPFPINYSCQT-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
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 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate
CID 115174770
3-O-(3-methoxy-2,2-dimethyl-3-oxopropanoyl) 1-O-methyl 2,2-dimethylpropanedioate
CID 139054712
N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151
2-bromo-N-tert-butyl-N,2-dimethylpropanamide
CID 54477333
N-tert-butyl-N,2,2,3,3-pentamethylbutanamide
CID 171730037
3-methoxy-2,2-dimethyl-3-oxopropanoic acid;hydrochloride
CID 88675587
methyl 2,2-dimethyl-3-[methyl(4-methylpentyl)amino]-3-oxopropanoate
CID 115174897
CID 59310885
CID 59310885
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
CID 158424293
methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
CID 115174806
methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
CID 116910331

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate?
The IUPAC name of methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate (CID 115174771) is methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate?
The canonical SMILES for methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate is COC(=O)C(C)(C)C(=O)N(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate?
The InChIKey is ILSLPFPINYSCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)12(6)8(13)11(4,5)9(14)15-7/h1-7H3.
What are the key properties of methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate?
methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate is sourced from PubChem (CID 115174771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).