chempirical

(S)-(-)-1-Boc-2-pyrrolidinemethanol

C10H19NO3CAS 69610-40-8201.27 g/mol

Open in Covalent MOL file
OONHO
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
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69610-40-8
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CO
InChIKey
BFFLLBPMZCIGRM-QMMMGPOBSA-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/t8-/m0/s1

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Names and synonyms

1 names
  • (S)-(-)-N-Boc-prolinol

Work with (S)-(-)-1-Boc-2-pyrrolidinemethanol

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-prolinol83435-58-9Enantiomer tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-1Stereo not defined

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 (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic 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

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