2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

C₁₅H₁₉NO₄CAS 149353-95-7277.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₅H₁₉NO₄
Molar mass: 277.32 g/mol
Exact mass: 277.1314 Da
logP: 2.68Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

149353-95-7

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)O

InChIKey

FOOWPXAXLKCQAE-UHFFFAOYSA-N

InChI

InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-4-5-11(13(17)18)8-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-((tert-Butoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

Work with 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

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

tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-566 % similar tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate258515-65-066 % similar tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-963 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-960 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-060 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-458 % similar 2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid851784-82-256 % similar 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-D-tic-oh115962-35-1 Methyl N-Cbz-piperidine-3-carboxylate174543-74-9 1-[(Benzyloxy)carbonyl]-4-methylpiperidine-4-carboxylic acid203522-12-7 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid34771-04-5 N,N,O-Triglycidyl-p-aminophenol5026-74-4 Boc-tic-oh78879-20-6

Elsewhere

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