tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate

C11H22N2O3 — CID 174110227

IUPACtert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate
SMILESCCNC(=O)C(C)(NC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13-8(14)11(5,12-6)9(15)16-10(2,3)4/h12H,7H2,1-6H3,(H,13,14)
InChIKeyMIUNJEVUSWKUHH-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds4

About tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate

tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate (PubChem CID 174110227) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate.

Molecular Properties

Compound Nametert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate
PubChem CID174110227
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate
SMILESCCNC(=O)C(C)(NC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13-8(14)11(5,12-6)9(15)16-10(2,3)4/h12H,7H2,1-6H3,(H,13,14)
InChIKeyMIUNJEVUSWKUHH-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 132932452
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl (2S)-2-amino-2-methyl-3-(methylamino)-3-oxopropanoate
CID 57038729
tert-butyl 5-(ethylamino)-5-oxopentanoate
CID 145414661
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
tert-butyl 2,2-bis(methylperoxy)butanoate
CID 21117928
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate?
The IUPAC name of tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate (CID 174110227) is tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate.
What is the SMILES notation for tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate?
The canonical SMILES for tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate is CCNC(=O)C(C)(NC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate?
The InChIKey is MIUNJEVUSWKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7-13-8(14)11(5,12-6)9(15)16-10(2,3)4/h12H,7H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate?
tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate has a molecular weight of 230.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(ethylamino)-2-methyl-2-(methylamino)-3-oxopropanoate is sourced from PubChem (CID 174110227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).