1.0 2010-04-08 22:09:46 UTC 2025-11-18 23:30:03 UTC FDB011668 4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid belongs to proline and derivatives class of compounds. Those are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid is soluble (in water) and a moderately acidic compound (based on its pKa). L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid can be found in fruits and pomes, which makes L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid a potential biomarker for the consumption of these food products. 4-(Hydroxymethyl)proline, 9CI C6H11NO3 145.1564 145.073893223 4-(hydroxymethyl)pyrrolidine-2-carboxylic acid 4-(hydroxymethyl)pyrrolidine-2-carboxylic acid 3850-38-2 OCC1CNC(C1)C(O)=O InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10) CISMGNUPDUKNQK-UHFFFAOYSA-N belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Proline and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds 1,3-aminoalcohols Alpha amino acids Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary alcohols Pyrrolidine carboxylic acids 1,3-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary aliphatic amine Secondary amine logp -3.02 ALOGPS logs -0.09 ALOGPS solubility 1.19e+02 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.78 ChemAxon pka_strongest_basic 10.94 ChemAxon iupac 4-(hydroxymethyl)pyrrolidine-2-carboxylic acid ChemAxon average_mass 145.1564 ChemAxon mono_mass 145.073893223 ChemAxon smiles OCC1CNC(C1)C(O)=O ChemAxon formula C6H11NO3 ChemAxon inchi InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10) ChemAxon inchikey CISMGNUPDUKNQK-UHFFFAOYSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 34.37 ChemAxon polarizability 14.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11891 Specdb::MsMs 11892 Specdb::MsMs 11893 Specdb::MsMs 18563 Specdb::MsMs 18564 Specdb::MsMs 18565 Specdb::MsMs 2845316 Specdb::MsMs 2845317 Specdb::MsMs 2845318 Specdb::MsMs 2861107 Specdb::MsMs 2861108 Specdb::MsMs 2861109 Specdb::NmrOneD 158230 Specdb::NmrOneD 158231 Specdb::NmrOneD 158232 Specdb::NmrOneD 158233 Specdb::NmrOneD 158234 Specdb::NmrOneD 158235 Specdb::NmrOneD 158236 Specdb::NmrOneD 158237 Specdb::NmrOneD 158238 Specdb::NmrOneD 158239 Specdb::NmrOneD 158240 Specdb::NmrOneD 158241 Specdb::NmrOneD 158242 Specdb::NmrOneD 158243 Specdb::NmrOneD 158244 Specdb::NmrOneD 158245 Specdb::NmrOneD 158246 Specdb::NmrOneD 158247 Specdb::NmrOneD 158248 Specdb::NmrOneD 158249 Specdb::CMs 19829 Specdb::CMs 41347 Specdb::CMs 135554 Specdb::CMs 143288 HMDB0029425 Apple Type 1 specific Malus pumila 283210 Pear Type 1 specific Pyrus communis 23211 Sour cherry Type 1 specific Prunus cerasus 140311