71311948 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 8 8 8 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 22 12 13 23 13 24 25 10 11 19 8 20 21 9 11 12 10 14 15 13 16 17 18 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 7 11 9 12 2 1 10 6 13 9 16 2 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 24 25 4.029 2.6278 0.3644 1.7657 2.1967 2.9467 1.859 2.4467 1.6377 1.9467 3.2558 3.0345 1.359 1.3277 1.0713 2.2282 3.8222 3.5658 3.3112 1.2424 2.1111 4.3935 0 2.7337 1.6598 3.9659 4.984 1.0181 0 6.984 1.7226 4.0704 3.2614 2.6736 1.7226 2.6736 4.0704 0.9135 3.2106 2.4214 1.1701 2.4214 3.2106 1.221 4.0056 4.6368 4.4675 0.5165 7.294 7.294 5 5 8 10 7 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 230 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633800000000000000000000000000000160000000000000000000000000000000001E00100800000CA8C18004000802C0020008000090080000000000000000008188000002401A00C020144000061000900000BC37000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid;hydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>,4<I>R</I>)-4-aminopyrrolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,4R)-4-azanylpyrrolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid;hydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H10N2O4.H2O/c7-6(5(11)12)1-3(4(9)10)8-2-6;/h3,8H,1-2,7H2,(H,9,10)(H,11,12);1H2/t3-,6-;/m1./s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XAIFFDPAANKDRF-VIKFZCHMSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.07462149 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H12N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.17 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCC1(C(=O)O)N)C(=O)O.O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O.O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 114 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.07462149 13 2 2 0 0 0 0 0 2 -1