Boc-D-tic-oh

C₁₅H₁₉NO₄CAS 115962-35-1277.32 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: 2.43Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

115962-35-1

SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)O

InChIKey

HFPVZPNLMJDJFB-GFCCVEGCSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(3R)-2-[(tert-Butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Work with Boc-D-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-tic-oh78879-20-6Enantiomer

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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