chempirical

4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylic acid

C10H15N3O4CAS 128293-64-1241.25 g/mol

Open in Covalent MOL file
NHNOONOOH
Carboxylic acid

Properties

Molecular formula
C10H15N3O4
Molar mass
241.25 g/mol
Exact mass
241.1063 Da
Melting point
200–201 °C
logP
1.48Crippen estimate
Polar surface area
96.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
128293-64-1
SMILES
Cn1cc(N=C(O)OC(C)(C)C)nc1C(=O)O
InChIKey
GZBSJWBQXNCOFP-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15)

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Names and synonyms

2 names
  • 1H-Imidazole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-
  • 4-tert-Butoxycarbonylamino-1-methyl-1H-imidazole-2-carboxylic acid

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Similar compounds

2-[[(1,1-Dimethylethoxy)carbonyl]amino]-6-benzothiazolecarboxylic acid225525-50-844 % similar 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-444 % similar 5-tert-Butoxycarbonylamino-2-chloroisonicotinic acid171178-46-444 % similar 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-239 % similar Di-tert-butyl-iminodicarboxylate51779-32-938 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-837 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-336 % similar 1,1-Dimethylethyl N-3-furanylcarbamate56267-48-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-2′-deoxycytidine838-07-3 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-0

Elsewhere

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