24200 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 8 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 3 -1 6 1 1 1 2 3 4 5 5 5 6 6 6 6 7 7 7 7 8 8 9 9 9 10 19 10 11 11 8 17 18 20 21 22 23 8 9 12 13 10 14 11 15 16 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 5 7 10 14 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 3.4641 2.5981 0 1.732 0.866 2.0005 1.732 1.732 0.866 2.5981 0.866 1.9441 2.3426 1.732 0.654 0.2554 0.3291 0.866 4.001 2.5375 1.4636 1.6905 2.3105 3 4.5 0 0 3.5 7.0369 2 3 1.5 3.5 0.5 1.4174 2.1077 3.62 2.0826 1.3923 3.19 4.12 3.31 7.3469 6.7269 7.5739 6.5 3 8 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 139 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633800000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000800400200080000900800000000000000000081800000020012008000004000041000000000AC26000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonium;4-amino-5-hydroxy-5-oxo-pentanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonium;4-amino-5-hydroxy-5-oxopentanoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 azanium;4-amino-5-hydroxy-5-oxopentanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 azanium;4-amino-5-hydroxy-5-oxopentanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 azanium;4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonium;4-amino-5-hydroxy-5-keto-valerate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PHKGGXPMPXXISP-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 164.07970687 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H12N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 164.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CC(=O)[O-])C(C(=O)O)N.[NH4+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CC(=O)[O-])C(C(=O)O)N.[NH4+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 164.07970687 11 1 0 1 0 0 0 0 2 -1