1-N-Cbz-pyrrolidine-3-carboxylic acid
Properties
- Molecular formula
- C13H15NO4
- Molar mass
- 249.27 g/mol
- Exact mass
- 249.1001 Da
- logP
- 1.73Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 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
188527-21-1SMILES
C1CN(CC1C(=O)O)C(=O)OCC2=CC=CC=C2InChIKey
JSASVUTVTRNJHA-UHFFFAOYSA-NInChI
InChI=1S/C13H15NO4/c15-12(16)11-6-7-14(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1-N-Cbz-pyrrolidine-3-carboxylic acid
Similar compounds
1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid78190-11-186 % similar
(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester88466-74-486 % similar
1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-485 % similar
1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-780 % similar
(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-167 % similar
3-Hydroxy-1-N-cbz-pyrrolidine95656-88-567 % similar
N-4-Cbz-2-piperazinecarboxylic acid64172-98-165 % similar
(S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-064 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.