1.0 2016-09-30 23:05:55 UTC 2020-04-22 15:12:41 UTC BMDB0003705 BMDB03705 Phosphoguanidinoacetate (N'-phosphonocarbamimidamido)acetic acid (N'-phosphonoguanidino)acetic acid Guanidinoacetate phosphate Phosphoguanidoacetate (N'-phosphonocarbamimidamido)acetate (N'-phosphonoguanidino)acetate Guanidinoacetic acid phosphoric acid Phosphoguanidoacetic acid Phosphoguanidinoacetic acid Phosphoglycocyamine Phosphoguanidinoacetate C3H8N3O5P 197.0865 197.020156893 2-[(E)-[amino(phosphonoamino)methylidene]amino]acetic acid [(E)-[amino(phosphonoamino)methylidene]amino]acetic acid N\C(NP(O)(O)=O)=N/CC(O)=O InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11) UUZLOPBEONRDRY-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids and derivatives Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic phosphoric acids and derivatives Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha-amino acid or derivatives Carbonyl group Carboximidamide Carboxylic acid Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds guanidinoacetates phosphoramide Solid logp -2.05 ALOGPS logs -1.44 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic -1.1 ChemAxon pka_strongest_basic 10.89 ChemAxon iupac 2-[(E)-[amino(phosphonoamino)methylidene]amino]acetic acid ChemAxon average_mass 197.0865 ChemAxon mono_mass 197.020156893 ChemAxon smiles N\C(NP(O)(O)=O)=N/CC(O)=O ChemAxon formula C3H8N3O5P ChemAxon inchi InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11) ChemAxon inchikey UUZLOPBEONRDRY-UHFFFAOYSA-N ChemAxon polar_surface_area 145.24 ChemAxon refractivity 37.59 ChemAxon polarizability 15.06 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2052 Specdb::MsIr 2053 Specdb::MsIr 2054 Specdb::MsMs 287245 Specdb::MsMs 287246 Specdb::MsMs 287247 Specdb::MsMs 326044 Specdb::MsMs 326045 Specdb::MsMs 326046 Specdb::MsMs 2826835 Specdb::MsMs 2826836 Specdb::MsMs 2826837 Specdb::MsMs 2856079 Specdb::MsMs 2856080 Specdb::MsMs 2856081 Specdb::CMs 9631 Specdb::CMs 38647 Specdb::CMs 160366 Specdb::NmrOneD 28622 Specdb::NmrOneD 28623 Specdb::NmrOneD 28624 Specdb::NmrOneD 28625 Specdb::NmrOneD 28626 Specdb::NmrOneD 28627 Specdb::NmrOneD 28628 Specdb::NmrOneD 28629 Specdb::NmrOneD 28630 Specdb::NmrOneD 28631 Specdb::NmrOneD 28632 Specdb::NmrOneD 28633 Specdb::NmrOneD 28634 Specdb::NmrOneD 28635 Specdb::NmrOneD 28636 Specdb::NmrOneD 28637 Specdb::NmrOneD 28638 Specdb::NmrOneD 28639 Specdb::NmrOneD 28640 Specdb::NmrOneD 28641 FDB023217 C03166 164212 188984 16034