tert-Butyl (3-hydroxycyclobutyl)carbamate

C₉H₁₇NO₃CAS 389890-43-1187.24 g/mol

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Alcohol Carbamate

Properties

Molecular formula: C₉H₁₇NO₃
Molar mass: 187.24 g/mol
Exact mass: 187.1208 Da
logP: 1.03Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

389890-43-1

SMILES

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

InChIKey

WSUMHFNEPOYLJM-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)

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Names and synonyms

1 names

(Cis) tert-butyl-3-hydroxycyclobutyl carbamate

Work with tert-Butyl (3-hydroxycyclobutyl)carbamate

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

rac-tert-Butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate207729-04-279 % similar Boc-trans-4-aminocyclohexanol111300-06-274 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-674 % similar 4-N-Boc-amino-cyclohexanol224309-64-274 % similar tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-067 % similar exo-3-Boc-aminotropane132234-68-566 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-265 % similar tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-861 % similar

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

Same formula

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0 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

Elsewhere

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