Results for:
PubChem ID: 182186

(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic Acid

Compound Details

Synonymous names
Pilocarpic acid
28406-15-7
978XN1E1ZN
(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
UNII-978XN1E1ZN
Pilocarpinsaure
(2R,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid
1,2-SECOPILOCARPIN-2-OIC ACID
PILOCARPINE NITRATE IMPURITY B [EP IMPURITY]
Q27271985
PILOCARPINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
PILOCARPINE HYDROCHLORIDE IMPURITY PILOCARPIC ACID [USP IMPURITY]
(2S,3R)-2-ETHYL-3-(HYDROXYMETHYL)-4-(1-METHYL-1H-IMIDAZOL-5-YL)BUTANOIC ACID
(2S,3R)-2-Ethyl-4-hydroxy-3-((1-methyl-1H-imidazol-5-yl)methyl)butanoic acid
1H-Imidazole-5-butanoic acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, (alphaS,betaR)-
1H-Imidazole-5-butanoic acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, (S-(R*,S*))-
1H-IMIDAZOLE-5-BUTANOIC ACID, .ALPHA.-ETHYL-.BETA.-(HYDROXYMETHYL)-1-METHYL-, (.ALPHA.S,.BETA.R)-
1H-IMIDAZOLE-5-BUTANOIC ACID, .ALPHA.-ETHYL-.BETA.-(HYDROXYMETHYL)-1-METHYL-, (S-(R*,S*))-
Microorganism:

Yes

IUPAC name(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
SMILESCCC(C(CC1=CN=CN1C)CO)C(=O)O
InchiInChI=1S/C11H18N2O3/c1-3-10(11(15)16)8(6-14)4-9-5-12-7-13(9)2/h5,7-8,10,14H,3-4,6H2,1-2H3,(H,15,16)/t8-,10-/m0/s1
FormulaC11H18N2O3
PubChem ID182186
Molweight226.27
LogP0
Atoms16
Bonds6
H-bond Acceptor4
H-bond Donor2
Chemical Classificationalcohols heterocyclic compounds organic acids nitrogen compounds aromatic compounds carboxylic acids imidazoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno