chempirical

N-Boc-D-cyclohexylglycinol

C13H25NO3CAS 188348-00-7243.35 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
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
188348-00-7
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C1CCCCC1
InChIKey
YNBRORWNNGUYQA-NSHDSACASA-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-/m0/s1

Weigh it out

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Work with N-Boc-D-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

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.

N-Boc-L-cyclohexylglycinol107202-39-1Enantiomer

Similar compounds

Boc-D-valinol106391-87-167 % similar N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol106946-74-160 % similar Boc-alpha-cyclohexyl-D-glycine70491-05-360 % similar Boc-L-cyclopentylglycine109183-72-458 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-157 % similar (1R,2R)-trans-N-Boc-1,2-cyclohexanediamine146504-07-657 % similar tert-Butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate180683-64-157 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-457 % 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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