tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate

C₁₀H₁₉NO₃CAS 167081-37-0201.27 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₀H₁₉NO₃
Molar mass: 201.27 g/mol
Exact mass: 201.1365 Da
logP: 1.28Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

167081-37-0

SMILES

CC(C)(C)OC(=O)NC1CC(C1)CO

InChIKey

PCPNTJQMXAHNOA-UHFFFAOYSA-N

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)

Weigh it out

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

Names and synonyms

1 names

cis-1-(Boc-amino)-3-(hydroxymethyl)cyclobutane

Work with tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate

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

tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-475 % similar Boc-D-leucinol106930-51-268 % similar Boc-L-leucinol82010-31-968 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-167 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-166 % similar exo-3-Boc-aminotropane132234-68-562 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-262 % similar Boc-met-ol51372-93-160 % 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 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook