24192250 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 11 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 6 6 6 7 7 7 7 8 8 9 9 9 10 19 11 20 10 11 8 17 18 8 9 12 13 10 14 11 15 16 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 8 6 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 6.001 3.4641 0 2.5981 1.732 0.866 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 0 2.31 3.62 0.62 5.12 0.62 4.12 2.62 3.62 2.12 4.12 1.12 2.0374 2.7277 4.24 2.7026 2.0123 3.81 4.74 3.93 0 3 8 6 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 145 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623820000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000800400200080000900800000000000000000081800000020012008000004000041000000000AC26000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UVZZAUIWJCQWEO-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.04292705 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H9NNaO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CC(=O)O)C(C(=O)O)N.[Na] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CC(=O)O)C(C(=O)O)N.[Na] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 101 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.04292705 11 1 0 1 0 0 0 0 2 -1