Ectoine
Properties
- Molecular formula
- C6H10N2O2
- Molar mass
- 142.16 g/mol
- Exact mass
- 142.0742 Da
- logP
- -0.15Crippen estimate
- Polar surface area
- 61.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
96702-03-3SMILES
CC1=NCC[C@@H](C(=O)O)N1InChIKey
WQXNXVUDBPYKBA-YFKPBYRVSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 4-Pyrimidinecarboxylic acid, 3,4,5,6-tetrahydro-2-methyl-, (4S)-
- 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (S)-
- 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (4S)-
- (4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
- Ectoin
- RonaCare
- NSC 614616
- Pyrostatin B
- Pyrostatine B
- (S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- (4S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- (4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Work with Ectoine
Similar compounds
Azetidine-2-carboxylic acid2133-34-841 % similar
(±)-2-Azetidinecarboxylic acid2517-04-641 % similar
Carbamylglutamic acid1188-38-139 % similar
Proline147-85-339 % similar
D-Proline344-25-239 % similar
Dl-proline609-36-939 % similar
(+)-Pipecolic acid1723-00-838 % similar
cis-4-Hydroxy-D-proline2584-71-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds