(αS)-Tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid

C9H16N2O3CAS 192725-50-1200.24 g/mol

Open in Covalent MOL file
OOHNNHO
Carboxylic acid

Properties

Molecular formula
C9H16N2O3
Molar mass
200.24 g/mol
Exact mass
200.1161 Da
logP
0.72Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 607-528-00-6), via PubChem.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
192725-50-1
SMILES
CC(C)[C@@H](C(=O)O)N1CCCN=C1O
InChIKey
AFGBRTKUTJQHIP-ZETCQYMHSA-N
InChI
InChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)11-5-3-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • 1(2H)-Pyrimidineacetic acid, tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
  • 1(2H)-Pyrimidineacetic acid, tetrahydro-α-(1-methylethyl)-2-oxo-, (S)-
  • (2S)-3-Methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid
  • (S)-3-Methyl-2-(2-oxotetrahydropyrimidine-1-yl)butyric acid

Work with (αS)-Tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid

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

Boc-N-methyl-L-valine45170-31-838 % similar (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-638 % similar (αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid102849-49-037 % similar Levetiracetam acid103833-72-337 % similar Ac-dl-pro-oh1074-79-936 % similar N-Acetyl-D-proline59785-68-136 % similar N-Acetyl-L-proline68-95-136 % similar Acetyllysine692-04-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylate143996-78-5 1-Boc-3-oxopiperazine76003-29-7

Elsewhere

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