chempirical

Ethanediamide impurity A

C16H29N3O7CAS 1210348-34-7375.42 g/mol

Open in Covalent MOL file
OOHNH2NONOOOHHO
AmideCarbamateCarboxylic acidPrimary amine

Properties

Molecular formula
C16H29N3O7
Molar mass
375.42 g/mol
Exact mass
375.2006 Da
logP
0.25Crippen estimate
Polar surface area
159.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, S, Sin SMILES atom order

Identifiers

CAS number
1210348-34-7
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C.C(=O)(C(=O)O)O
InChIKey
IERZZGXDUZIMSC-PBDVDRNWSA-N
InChI
InChI=1S/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10-,11+;/m0./s1

Weigh it out

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

Work with Ethanediamide impurity A

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

1,1-Dimethylethyl N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate365998-36-356 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-040 % similar N-Boc-L-cyclohexylglycinol107202-39-139 % similar Boc-D-valinol106391-87-139 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-138 % similar exo-3-Boc-aminotropane132234-68-538 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-437 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-537 % similar

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

Elsewhere

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