chempirical

rac-tert-Butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate

C10H19NO3CAS 207729-04-2201.27 g/mol

Open in Covalent MOL file
OOHNOH
AlcoholCarbamate

Properties

Molecular formula
C10H19NO3
Molar mass
201.27 g/mol
Exact mass
201.1365 Da
logP
1.42Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
207729-04-2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)O
InChIKey
SBUKINULYZANSP-HTQZYQBOSA-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-/m1/s1

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Names and synonyms

1 names
  • Carbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, rel-

Work with rac-tert-Butyl N-[(1R,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.

1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-8Diastereomer

Similar compounds

Boc-trans-4-aminocyclohexanol111300-06-282 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-682 % similar 4-N-Boc-amino-cyclohexanol224309-64-282 % similar exo-3-Boc-aminotropane132234-68-565 % similar tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-864 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-460 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-859 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-759 % 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 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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