Ectoine
Ectoine is a carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. It has a role as an osmolyte. It is a carboxamidine, a member of 1,4,5,6-tetrahydropyrimidines and a monocarboxylic acid. It is a conjugate acid of an ectoinate. It is a tautomer of an ectoine zwitterion.
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| CAT# | MFP-003 |
| Chemical Structure |  |
| CAS | 96702-03-3 |
| Synonyms/Alias | UNII-7GXZ3858RY; (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
| Chemical Name | (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid |
| M.F/Formula | C6H10N2O2 |
| M.W/Mr. | 142.16 |
| InChI | 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 |
InChI Key | WQXNXVUDBPYKBA-YFKPBYRVSA-N |
Canonical SMILES | CC1=NCCC(N1)C(=O)O |
Isomeric SMILES | CC1=NCC[C@H](N1)C(=O)O |
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