3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester
Properties
- Molecular formula
- C12H19NO4
- Molar mass
- 241.29 g/mol
- Exact mass
- 241.1314 Da
- logP
- 1.73Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1002355-96-5SMILES
CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)CInChIKey
WYWJZDFQQJTRDD-UHFFFAOYSA-NInChI
InChI=1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate
Work with 3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester
Similar compounds
tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate135716-08-476 % similar
1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine1153949-11-152 % similar
3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-451 % similar
1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate146256-98-649 % similar
1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-449 % similar
tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-849 % similar
Ethyl N-boc-4-methylpiperidine-4-carboxylate189442-87-349 % similar
N-(tert-Butoxycarbonyl)iminodiacetic Acid56074-20-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.