(S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid
Properties
- Molecular formula
- C12H19NO4
- Molar mass
- 241.29 g/mol
- Exact mass
- 241.1314 Da
- logP
- 1.86Crippen 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 irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
1129634-44-1SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)OInChIKey
VEIYKHIPSJIVRK-QMMMGPOBSA-NInChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (6S)-5-[(tert-Butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
Work with (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid
Similar compounds
1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-273 % similar
(2S)-1-[(tert-Butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid203866-15-370 % similar
1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-762 % similar
Boc-D-azetidine-2-carboxylic acid228857-58-762 % similar
1-Boc-L-azetidine-2-carboxylic acid51077-14-662 % similar
Boc-L-proline15761-39-459 % similar
(2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-159 % similar
1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.