chempirical

1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate

C10H19NO3CAS 167465-99-8201.27 g/mol

Open in Covalent MOL file
OOHNOH
Alcohol

Properties

Molecular formula
C10H19NO3
Molar mass
201.27 g/mol
Exact mass
201.1365 Da
logP
1.63Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
S, Rin 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
167465-99-8
SMILES
CC(C)(C)OC(O)=N[C@H]1CC[C@@H](O)C1
InChIKey
SBUKINULYZANSP-JGVFFNPUSA-N
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Carbamic acid, N-[(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, (3-hydroxycyclopentyl)-, 1,1-dimethylethyl ester, (1S-cis)-
  • Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester
  • tert-Butyl ((1S,3R)-3-hydroxycyclopentyl)carbamate
  • 1,1-Dimethylethyl N-((1S,3R)-3-hydroxycyclopentyl)carbamate

Work with 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]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

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.

rac-tert-Butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate207729-04-2Diastereomer

Similar compounds

(1S,3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid261165-05-361 % similar 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-161 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-659 % similar 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-159 % similar 4-(N-Boc-amino)piperidine73874-95-058 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-556 % similar trans-4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid53292-89-056 % similar cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid53292-90-356 % 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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