3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester

C9H17NO3CAS 103057-44-9187.24 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
logP
0.99Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
103057-44-9
SMILES
CC(C)(C)OC(=O)N1CCC(O)C1
InChIKey
APCBTRDHCDOPNY-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3

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Names and synonyms

12 names
  • 1-Pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester
  • 1-tert-Butoxycarbonyl-3-hydroxypyrrolidine
  • N-tert-Butyloxycarbonyl-3-pyrrolidinol
  • 1-(tert-Butoxycarbonyl)-3-pyrrolidinol
  • N-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine
  • (RS)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 3-hydroxypyrrolidine-1-carboxylate
  • tert-Butyl 3-hydroxy-1-pyrrolidinecarboxylate
  • 1-(tert-Butyloxycarbonyl)-3-hydroxypyrrolidine
  • 1-Boc-3-hydroxypyrrolidine
  • 3-Hydroxy-pyrrolidin-1-carboxylic acid tert-butyl ester
  • 1-Boc-3-pyrrolidinol

Work with 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester

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.

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5Defined stereoisomer tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0Defined stereoisomer

Similar compounds

(R)-1-Boc-3-hydroxypiperidine143900-43-083 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-183 % similar 1-Boc-3-hydroxypiperidine85275-45-283 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-282 % similar 1-N-Boc-3-hydroxyazetidine141699-55-076 % similar tert-Butyl 4-hydroxyazepane-1-carboxylate478832-21-273 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-669 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-869 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 1-Boc-azetidine-3-ylmethanol142253-56-3 tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-9 tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-8 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6

Elsewhere

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