Ethyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

C₁₇H₂₄N₂O₇CAS 1416134-48-9368.39 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Secondary amine

Properties

Molecular formula: C₁₇H₂₄N₂O₇
Molar mass: 368.39 g/mol
Exact mass: 368.1584 Da
logP: 0.55Crippen estimate
Polar surface area: 134.2 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 6
Stereocentres: S, 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

1416134-48-9

SMILES

CCOC(=O)[C@@H]1CC[C@H](CN1)NOCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChIKey

PYUXATUBICTSNB-DFQHDRSWSA-N

InChI

InChI=1S/C15H22N2O3.C2H2O4/c1-2-19-15(18)14-9-8-13(10-16-14)17-20-11-12-6-4-3-5-7-12;3-1(4)2(5)6/h3-7,13-14,16-17H,2,8-11H2,1H3;(H,3,4)(H,5,6)/t13-,14+;/m1./s1

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

Names and synonyms

1 names

Avibactam int 1

Work with Ethyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

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.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Copper oxalate814-91-5Salt Ferric ammonium oxalate14221-47-7Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Caesium oxalate1068-63-9Salt Lead(II) oxalate814-93-7Salt Lithium oxalate553-91-3Salt

Similar compounds

(2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide1416134-49-056 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-247 % similar Ethyl (S)-2-hydroxy-4-phenylbutyrate125639-64-745 % similar Ethyl (R)-2-hydroxy-4-phenylbutyrate90315-82-545 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-844 % similar H-Hyp-obzl hcl62147-27-743 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-843 % similar L-Proline benzyl ester hydrochloride16652-71-442 % similar

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

Elsewhere

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