chempirical

tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate

C10H19NO3CAS 170491-63-1201.27 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C10H19NO3
Molar mass
201.27 g/mol
Exact mass
201.1365 Da
logP
1.38Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
170491-63-1
SMILES
CC(C)(C)OC(=O)N1CCCC1CO
InChIKey
BFFLLBPMZCIGRM-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • N-Boc-2-hydroxymethylpyrrolidine
  • N-(tert-Butoxycarbonyl)pyrrolidine-2-methanol
  • 2-Hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
  • N-Boc-2-pyrrolidinemethanol

Work with tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

N-(tert-Butoxycarbonyl)-D-prolinol83435-58-9Defined stereoisomer (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-8Defined stereoisomer

Similar compounds

N-Boc-piperidine-2-methanol157634-00-991 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-983 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-883 % similar tert-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate118811-03-370 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-869 % similar (+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine177911-87-469 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-668 % similar (S)-2-(1-BOC-2-pyrrolidinyl)acetic acid56502-01-368 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-2 tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-6 (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-1 tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-2 Capryloylglycine14246-53-8 (R)-1-Boc-3-hydroxypiperidine143900-43-0 (S)-1-Boc-3-hydroxypiperidine143900-44-1 tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook