1.0 2019-10-15 22:57:14 UTC 2025-11-19 03:06:43 UTC FDB093664 5-(Hydroxymethyl-2-furoyl)glycine C8H9NO5 199.162 199.048072394 2-{[5-(hydroxymethyl)furan-2-yl]formamido}acetic acid {[5-(hydroxymethyl)furan-2-yl]formamido}acetic acid OCC1=CC=C(O1)C(=O)NCC(O)=O InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12) HBULKUDERNWOBN-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 2-heteroaryl carboxamides Aromatic alcohols Carbonyl compounds Carboxylic acids Furoic acid and derivatives Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Primary alcohols Secondary carboxylic acid amides 2-heteroaryl carboxamide Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid Furan Furoic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Secondary carboxylic acid amide logp -0.57 ALOGPS logs -1.55 ALOGPS solubility 5.62e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[5-(hydroxymethyl)furan-2-yl]formamido}acetic acid ChemAxon average_mass 199.162 ChemAxon mono_mass 199.048072394 ChemAxon smiles OCC1=CC=C(O1)C(=O)NCC(O)=O ChemAxon formula C8H9NO5 ChemAxon inchi InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12) ChemAxon inchikey HBULKUDERNWOBN-UHFFFAOYSA-N ChemAxon polar_surface_area 99.77 ChemAxon refractivity 45.2 ChemAxon polarizability 18.59 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 153810 Specdb::MsMs 76104 Specdb::MsMs 76105 Specdb::MsMs 76106 Specdb::MsMs 135861 Specdb::MsMs 135862 Specdb::MsMs 135863 Specdb::MsMs 2815096 Specdb::MsMs 2815097 Specdb::MsMs 2815098 Specdb::MsMs 2893241 Specdb::MsMs 2893242 Specdb::MsMs 2893243 Specdb::NmrOneD 73992 Specdb::NmrOneD 73993 Specdb::NmrOneD 73994 Specdb::NmrOneD 73995 Specdb::NmrOneD 73996 Specdb::NmrOneD 73997 Specdb::NmrOneD 73998 Specdb::NmrOneD 73999 Specdb::NmrOneD 74000 Specdb::NmrOneD 74001 Specdb::NmrOneD 74002 Specdb::NmrOneD 74003 Specdb::NmrOneD 74004 Specdb::NmrOneD 74005 Specdb::NmrOneD 74006 Specdb::NmrOneD 74007 Specdb::NmrOneD 74008 Specdb::NmrOneD 74009 Specdb::NmrOneD 74010 Specdb::NmrOneD 74011 FOBI:030650