1-Boc-L-azetidine-2-carboxylic acid
Properties
- Molecular formula
- C9H15NO4
- Molar mass
- 201.22 g/mol
- Exact mass
- 201.1001 Da
- logP
- 1.08Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation93.3% of notifiers
- H319 Causes serious eye irritation93.3% of notifiers
- H335 May cause respiratory irritation93.3% of notifiers
Aggregated from 45 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
51077-14-6SMILES
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)OInChIKey
JWJVSDZKYYXDDN-LURJTMIESA-NInChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (2S)-1-((tert-Butoxy)carbonyl)azetidine-2-carboxylic acid
Work with 1-Boc-L-azetidine-2-carboxylic acid
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.
Similar compounds
Boc-L-proline15761-39-483 % similar
(2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-183 % similar
1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-083 % similar
1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-981 % similar
(2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-081 % similar
(R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-881 % similar
4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-670 % similar
4-Boc-3(R)-morpholinecarboxylic acid869681-70-970 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds