(S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Properties
- Molecular formula
- C10H19NO3
- Molar mass
- 201.27 g/mol
- Exact mass
- 201.1365 Da
- logP
- 1.24Crippen estimate
- Polar surface area
- 49.8 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
199174-24-8SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)COInChIKey
HKIGXXRMJFUUKV-QMMMGPOBSA-NInChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- tert-Butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Work with (S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl 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
N-Boc-piperidine-3-methanol116574-71-184 % similar
tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-784 % similar
tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-884 % similar
N-Boc-4-piperidinemethanol123855-51-683 % similar
1-Boc-azetidine-3-ylmethanol142253-56-377 % similar
(R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-369 % similar
(S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-569 % similar
1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-068 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds