(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Properties
- Molecular formula
- C18H17NO4
- Molar mass
- 311.34 g/mol
- Exact mass
- 311.1158 Da
- logP
- 2.83Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.4% of notifiers
Aggregated from 39 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
79261-58-8SMILES
C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)OInChIKey
YWVQGUBCAUFBCP-INIZCTEOSA-NInChI
InChI=1S/C18H17NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Similar compounds
Benzyloxycarbonyl-L-proline1148-11-467 % similar
N-(Benzyloxycarbonyl)-D-proline6404-31-567 % similar
(2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-866 % similar
N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid130309-33-065 % similar
Fmoc-tic-oh136030-33-665 % similar
1-Cbz-2-piperidinecarboxylic acid28697-07-665 % similar
(D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-865 % similar
1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-265 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.