chempirical

Ro 64-0802

C14H24N2O4CAS 187227-45-8284.36 g/mol

Open in Covalent MOL file
OOHONH2NHO
AlkeneCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C14H24N2O4
Molar mass
284.36 g/mol
Exact mass
284.1736 Da
Melting point
185–187 °C
logP
1.65Crippen estimate
Polar surface area
105.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
187227-45-8
SMILES
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1N=C(C)O
InChIKey
NENPYTRHICXVCS-YNEHKIRRSA-N
InChI
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)-
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, [3R-(3α,4β,5α)]-
  • (3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • GS 4071
  • Oseltamivir acid

Work with Ro 64-0802

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

Oseltamivir196618-13-074 % similar Oseltamivir phosphate204255-11-866 % similar 2-(Acetylamino)butanoic acid7211-57-635 % similar Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate204254-96-634 % similar N-Acetylneuraminic acid131-48-633 % similar N-Acetyl-L-isoleucine3077-46-132 % similar Diethyl acetamidomalonate1068-90-230 % similar Citiolone1195-16-030 % similar

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

Elsewhere

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