1.0 2010-04-08 22:14:28 UTC 2019-11-26 03:17:42 UTC FDB019610 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide Alkaloid from Morus alba (white mulberry). 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits. 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide C8H16N2O4 204.2236 204.11100701 3-[3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide 3-[3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide NC(=O)CCN1CC(O)C(O)C1CO InChI=1S/C8H16N2O4/c9-7(13)1-2-10-3-6(12)8(14)5(10)4-11/h5-6,8,11-12,14H,1-4H2,(H2,9,13) ARJIGPTXXUGWDZ-UHFFFAOYSA-N belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. N-alkylpyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines N-alkylpyrrolidines Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Azacyclic compounds Carboximidic acids Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Secondary alcohols Trialkylamines 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Amine Azacycle Carboximidic acid Carboximidic acid derivative Hydrocarbon derivative N-alkylpyrrolidine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Tertiary aliphatic amine Tertiary amine logp -2.37 ALOGPS logs 0.12 ALOGPS solubility 2.71e+02 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 13.31 ChemAxon pka_strongest_basic 8.48 ChemAxon iupac 3-[3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide ChemAxon average_mass 204.2236 ChemAxon mono_mass 204.11100701 ChemAxon smiles NC(=O)CCN1CC(O)C(O)C1CO ChemAxon formula C8H16N2O4 ChemAxon inchi InChI=1S/C8H16N2O4/c9-7(13)1-2-10-3-6(12)8(14)5(10)4-11/h5-6,8,11-12,14H,1-4H2,(H2,9,13) ChemAxon inchikey ARJIGPTXXUGWDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 107.02 ChemAxon refractivity 48.51 ChemAxon polarizability 20.41 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18273 Specdb::CMs 46652 Specdb::CMs 152089 Specdb::MsMs 102288 Specdb::MsMs 102289 Specdb::MsMs 102290 Specdb::MsMs 168081 Specdb::MsMs 168082 Specdb::MsMs 168083 Specdb::MsMs 2744637 Specdb::MsMs 2744638 Specdb::MsMs 2744639 Specdb::MsMs 2936920 Specdb::MsMs 2936921 Specdb::MsMs 2936922 Specdb::NmrOneD 37202 Specdb::NmrOneD 37203 Specdb::NmrOneD 37204 Specdb::NmrOneD 37205 Specdb::NmrOneD 37206 Specdb::NmrOneD 37207 Specdb::NmrOneD 37208 Specdb::NmrOneD 37209 Specdb::NmrOneD 37210 Specdb::NmrOneD 37211 Specdb::NmrOneD 37212 Specdb::NmrOneD 37213 Specdb::NmrOneD 37214 Specdb::NmrOneD 37215 Specdb::NmrOneD 37216 Specdb::NmrOneD 37217 Specdb::NmrOneD 37218 Specdb::NmrOneD 37219 Specdb::NmrOneD 37220 Specdb::NmrOneD 37221 HMDB39948 #<Reference:0x000055ce335e6440> Fruits Unknown generic