chempirical

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

C10H19NO3CAS 114214-69-6201.27 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
1.24Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
114214-69-6
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CO
InChIKey
HKIGXXRMJFUUKV-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3

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Names and synonyms

1 names
  • 1-Boc-3-hydroxymethylpyrrolidine

Work with tert-Butyl 3-(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

Similar compounds

N-Boc-piperidine-3-methanol116574-71-184 % similar N-Boc-4-piperidinemethanol123855-51-683 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-968 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-564 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-964 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-064 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-662 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-862 % similar

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

Same formula

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-2 (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 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-8 tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-1

Elsewhere

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