(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester
Properties
- Molecular formula
- C14H17NO4
- Molar mass
- 263.29 g/mol
- Exact mass
- 263.1158 Da
- logP
- 2.12Crippen 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 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
88466-74-4SMILES
C1C[C@@H](CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)OInChIKey
FFLPIVZNYJKKDM-LBPRGKRZSA-NInChI
InChI=1S/C14H17NO4/c16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid
Work with (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester
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
1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-186 % similar
1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-777 % similar
1-N-Cbz-3-hydroxy-piperidine95798-22-468 % similar
Methyl N-Cbz-piperidine-3-carboxylate174543-74-968 % similar
1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid158922-07-765 % similar
(R)-1-Fmoc-piperidine-3-carboxylic acid193693-67-365 % similar
Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-265 % similar
(R)-3-Amino-1-N-cbz-piperidine1044560-96-465 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.