chempirical

Boc-tic-oh

C15H19NO4CAS 78879-20-6277.32 g/mol

Open in Covalent MOL file
OONOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C15H19NO4
Molar mass
277.32 g/mol
Exact mass
277.1314 Da
logP
2.43Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
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
78879-20-6
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O
InChIKey
HFPVZPNLMJDJFB-LBPRGKRZSA-N
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m0/s1

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Names and synonyms

1 names
  • (3S)-2-((tert-Butoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Work with Boc-tic-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-D-tic-oh115962-35-1Enantiomer

Similar compounds

(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid79261-58-864 % similar Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid123910-26-963 % similar N-Alpha-(t-Butyloxycarbonyl)-1,2,3,4-tetrahydronorharman-L-3-carboxylic acid66863-43-263 % similar N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid130309-33-059 % similar Fmoc-tic-oh136030-33-659 % similar Boc-N-methyl-L-phenylalanine37553-65-459 % similar N-Boc-N-methyl-D-phenylalanine85466-66-659 % similar Boc-L-proline15761-39-456 % similar

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

Same formula

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-7 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

Elsewhere

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