Boc-his(1-me)-oh

C₁₂H₁₉N₃O₄CAS 61070-20-0269.30 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₁₉N₃O₄
Molar mass: 269.30 g/mol
Exact mass: 269.1376 Da
logP: 0.94Crippen estimate
Polar surface area: 93.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61070-20-0

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C)C(=O)O

InChIKey

UCKFPCXOYMKRSO-VIFPVBQESA-N

InChI

InChI=1S/C12H19N3O4/c1-12(2,3)19-11(18)14-9(10(16)17)5-8-6-15(4)7-13-8/h6-7,9H,5H2,1-4H3,(H,14,18)(H,16,17)/t9-/m0/s1

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Work with Boc-his(1-me)-oh

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-his(boc)-OH20866-46-075 % similar Boc-3-(2-pyridyl)-Ala-OH71239-85-564 % similar Boc-D-2-pyridylalanine98266-32-164 % similar Boc-his(Z)-oh50305-43-663 % similar Fmoc-his(boc)-oh81379-52-459 % similar Boc-dl-phe-oh4530-18-157 % similar Boc-D-tyr-oh70642-86-356 % similar Boc-D-his-oh50654-94-955 % similar

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

Same formula

1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate183673-70-3

Elsewhere

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