chempirical

N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester

C10H19NO4CAS 82834-12-6217.26 g/mol

Open in Covalent MOL file
NHOHOOO
Carboxylic acidEsterSecondary amine

Properties

Molecular formula
C10H19NO4
Molar mass
217.26 g/mol
Exact mass
217.1314 Da
Melting point
148 °C
logP
0.78Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
82834-12-6
SMILES
CCC[C@H](N[C@@H](C)C(=O)O)C(=O)OCC
InChIKey
AUVAVXHAOCLQBF-YUMQZZPRSA-N
InChI
InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m0/s1

Weigh it out

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

Names and synonyms

2 names
  • L-Norvaline, N-[(1S)-1-carboxyethyl]-, 1-ethyl ester
  • L-Norvaline, N-(1-carboxyethyl)-, 1-ethyl ester, (S)-

Work with N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester

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

N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-268 % similar Perindopril82834-16-061 % similar Perindopril erbumine107133-36-853 % similar Manzanate39255-32-849 % similar Enalapril75847-73-348 % similar Propylmalonic acid diethyl ester2163-48-648 % similar 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-547 % similar Quinapril85441-61-846 % similar

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

Same formula

2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 Boc-N,2-dimethylalanine146000-39-7 Di-tert-butyl-iminodicarboxylate51779-32-9 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook