71467469 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 17 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 8 18 9 16 10 17 9 10 7 14 15 8 9 11 10 12 13 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 7 6 9 8 11 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 2.202 4.8671 0.5369 4.001 1.403 3.135 3.135 2.269 4.001 1.403 2.5981 2.6675 1.8705 2.5981 3.672 5.404 0 3.202 0 3.81 4.31 5.31 2.81 2.81 3.81 4.31 4.31 3.81 3.5 4.785 4.785 2.5 2.5 4.12 4 0 6 7 6 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 133 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 4 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 00000371C0623800040000000000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-aminobutanedioic acid;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-aminobutanedioic acid;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-2-aminobutanedioic acid;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-aminobutanedioic acid;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-azanylbutanedioic acid;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-aminosuccinic acid;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO4.ClH/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H/t2-;/m1./s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DWHMPBALQYTJFJ-HSHFZTNMSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 169.0141854 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H8ClNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 169.56 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)O)N)C(=O)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([C@H](C(=O)O)N)C(=O)O.Cl 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 2021.05.07 169.0141854 10 1 1 0 0 0 0 0 2 -1