2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic Acid

2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic Acid bmse001100 - Data

2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic Acid synonyms

Ectoine

Wikipedia:

Graphical representations:

2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic

View large 3D structure

Molecular Formula: C6H10N2O2

Natural Isotopic Abundance Mass: 142.1558

Mono-Isotopic Molecular Masses:

  • C12N14: 142.07422757
  • C13N14: 148.094356598
  • C12N15: 144.068297356
  • C13N15: 150.088426384

InChI string: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

MMCD: cq_18997
PDB Compound ID: 4CS
PubChem Compound (CID): 126041

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)