chempirical

(1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

C14H17N3O3CAS 1192651-49-2275.31 g/mol

Open in Covalent MOL file
H2NONONO
Urea

Properties

Molecular formula
C14H17N3O3
Molar mass
275.31 g/mol
Exact mass
275.1270 Da
logP
1.92Crippen estimate
Polar surface area
76.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1192651-49-2
SMILES
N=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
InChIKey
HYTSWLKLRKLRHK-NEPJUHHUSA-N
InChI
InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)/t11-,12+/m1/s1

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Names and synonyms

2 names
  • 1,6-Diazabicyclo[3.2.1]octane-2-carboxamide, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-
  • (2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

Work with (1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

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

Avibactam1192500-31-455 % similar (2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide1416134-49-040 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-838 % similar N-Cbz-nortropinone130753-13-838 % similar Benzyloxycarbonyl-L-proline1148-11-437 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-537 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-636 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-836 % similar

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

Same formula

Imazapic104098-48-8 Ala-trp16305-75-2

Elsewhere

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