1.0 2019-10-15 19:55:18 UTC 2025-11-19 03:06:40 UTC FDB093609 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid C12H16O5 240.2524 240.099773622 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1 InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16) WMCQWXZMVIETAO-UHFFFAOYSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid. Furanoid fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic heteromonocyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Furan-3-carboxylic acids Furoic acids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Furan Furan-3-carboxylic acid Furan-3-carboxylic acid or derivatives Furanoid fatty acid Furoic acid Furoic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Heterocyclic fatty acids dicarboxylic acid furoic acid logp 1.68 ALOGPS logs -3.04 ALOGPS solubility 2.17e-01 g/l ALOGPS logp 2.3 ChemAxon pka_strongest_acidic 3.87 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid ChemAxon average_mass 240.2524 ChemAxon mono_mass 240.099773622 ChemAxon smiles CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1 ChemAxon formula C12H16O5 ChemAxon inchi InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16) ChemAxon inchikey WMCQWXZMVIETAO-UHFFFAOYSA-N ChemAxon polar_surface_area 87.74 ChemAxon refractivity 61.08 ChemAxon polarizability 25.26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid (CMPF) SMP0125515 Specdb::CMs 34677 Specdb::CMs 48638 Specdb::CMs 156999 Specdb::MsMs 96312 Specdb::MsMs 96313 Specdb::MsMs 96314 Specdb::MsMs 160764 Specdb::MsMs 160765 Specdb::MsMs 160766 Specdb::MsMs 438676 Specdb::MsMs 439949 Specdb::MsMs 450229 Specdb::MsMs 450230 Specdb::MsMs 2750503 Specdb::MsMs 2750504 Specdb::MsMs 2750505 Specdb::MsMs 2927608 Specdb::MsMs 2927609 Specdb::MsMs 2927610 Specdb::NmrOneD 272978 Specdb::NmrOneD 272979 Specdb::NmrOneD 272980 Specdb::NmrOneD 272981 Specdb::NmrOneD 272982 Specdb::NmrOneD 272983 Specdb::NmrOneD 272984 Specdb::NmrOneD 272985 Specdb::NmrOneD 272986 Specdb::NmrOneD 272987 Specdb::NmrOneD 272988 Specdb::NmrOneD 272989 Specdb::NmrOneD 272990 Specdb::NmrOneD 272991 Specdb::NmrOneD 272992 Specdb::NmrOneD 272993 Specdb::NmrOneD 272994 Specdb::NmrOneD 272995 Specdb::NmrOneD 272996 Specdb::NmrOneD 272997 HMDB0061112 FOBI:030651