chempirical

N-Boc-L-cyclohexylglycinol

C13H25NO3CAS 107202-39-1243.35 g/mol

Open in Covalent MOL file
OONHHO
AlcoholCarbamate

Properties

Molecular formula
C13H25NO3
Molar mass
243.35 g/mol
Exact mass
243.1834 Da
logP
2.45Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
107202-39-1
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C1CCCCC1
InChIKey
YNBRORWNNGUYQA-LLVKDONJSA-N
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t11-/m1/s1

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Work with N-Boc-L-cyclohexylglycinol

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

Boc-D-valinol106391-87-167 % similar N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol106946-74-160 % similar Boc-L-cyclopentylglycine109183-72-458 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-157 % similar Boc-D-leucinol106930-51-252 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-551 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-150 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-050 % similar

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

Same formula

tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate156185-63-6 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-1

Elsewhere

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