methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate

C13H21N3O3 — CID 65172945

IUPACmethyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCCC(C)(C)NC(=O)Cn1c(C(=O)OC)cnc1C
InChIInChI=1S/C13H21N3O3/c1-6-13(3,4)15-11(17)8-16-9(2)14-7-10(16)12(18)19-5/h7H,6,8H2,1-5H3,(H,15,17)
InChIKeyWVEKXLLYMFYUMX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.28
Rot. Bonds5

About methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate

methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate (PubChem CID 65172945) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate
PubChem CID65172945
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCCC(C)(C)NC(=O)Cn1c(C(=O)OC)cnc1C
InChIInChI=1S/C13H21N3O3/c1-6-13(3,4)15-11(17)8-16-9(2)14-7-10(16)12(18)19-5/h7H,6,8H2,1-5H3,(H,15,17)
InChIKeyWVEKXLLYMFYUMX-UHFFFAOYSA-N
XLogP1.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65173047
methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172997
methyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylimidazole-4-carboxylate
CID 65171005
methyl 3-(3-cyanopropyl)-2-methylimidazole-4-carboxylate
CID 65172627
methyl 2-methyl-3-(4,4,4-trifluorobutyl)imidazole-4-carboxylate
CID 115514376
methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
CID 65171561
methyl 3-[3-(dimethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 65170904
methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 65171502
methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82869496
methyl 3-[(3-ethylimidazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 66154538
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
CID 65171351
methyl 3-[[1-(cyanomethyl)cyclopropyl]methyl]-2-methylimidazole-4-carboxylate
CID 65496092

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate (CID 65172945) is methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate is CCC(C)(C)NC(=O)Cn1c(C(=O)OC)cnc1C.
What is the InChIKey of methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate?
The InChIKey is WVEKXLLYMFYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-13(3,4)15-11(17)8-16-9(2)14-7-10(16)12(18)19-5/h7H,6,8H2,1-5H3,(H,15,17).
What are the key properties of methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate?
methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate is sourced from PubChem (CID 65172945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).