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

C11H21NO3 — CID 115174770

IUPACmethyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate
SMILESCOC(=O)C(C)(C)C(=O)N(C)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)7-12(5)9(13)11(3,4)10(14)15-6/h8H,7H2,1-6H3
InChIKeyHWFVEQCMQDDNAL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.30
Rot. Bonds4

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

methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate (PubChem CID 115174770) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate
PubChem CID115174770
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate
SMILESCOC(=O)C(C)(C)C(=O)N(C)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)7-12(5)9(13)11(3,4)10(14)15-6/h8H,7H2,1-6H3
InChIKeyHWFVEQCMQDDNAL-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.30
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(4-methylpentyl)amino]-3-oxopropanoate
CID 115174897
methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
CID 115174771
2-(ethylamino)-N,2-dimethyl-N-(2-methylpropyl)propanamide
CID 62833280
methyl 2,2,6-trimethyl-3-oxoheptanoate
CID 91150314
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
2-amino-2-cyclopropyl-N-methyl-N-(2-methylpropyl)propanamide
CID 60867332
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
CID 59310885
CID 59310885
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
methyl (2R,3S)-3-(dimethylcarbamoyl)-2-hydroxy-2,5-dimethylhexanoate
CID 135057161
3-[2-cyanopropyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820621

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate (CID 115174770) is methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate is COC(=O)C(C)(C)C(=O)N(C)CC(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate?
The InChIKey is HWFVEQCMQDDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)7-12(5)9(13)11(3,4)10(14)15-6/h8H,7H2,1-6H3.
What are the key properties of methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate?
methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate is sourced from PubChem (CID 115174770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).