54496095 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 21 11 12 22 12 9 10 18 7 19 20 8 10 11 9 13 14 12 15 16 17 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 10 8 11 2 1 9 5 8 12 15 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 6.029 4.6278 2.3644 3.7657 4.9467 3.859 4.4467 3.6377 3.9467 5.2558 5.0345 3.359 3.3277 3.0713 4.2282 5.8222 5.5658 5.3112 3.2424 4.1111 6.3935 2 1.4739 2.492 -1.4739 -2.492 -0.7694 1.5784 0.7694 0.1816 -0.7694 0.1816 1.5784 -1.5784 0.7186 -0.0705 -1.3218 -0.0705 0.7186 -1.271 1.5136 2.1448 1.9755 -1.9755 5 3 7 9 6 12 0 Compound Canonicalized 5 2011.09.13 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 6 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 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 (4R)-4-aminopyrrolidine-2,4-dicarboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-4-aminopyrrolidine-2,4-dicarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>R</I>)-4-aminopyrrolidine-2,4-dicarboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-4-aminopyrrolidine-2,4-dicarboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-4-azanylpyrrolidine-2,4-dicarboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-4-aminopyrrolidine-2,4-dicarboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3?,6-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XZFMJVJDSYRWDQ-PUOGSPQQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -6.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 174.06405680 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H10N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 174.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCC1(C(=O)O)N)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NC[C@]1(C(=O)O)N)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 174.06405680 12 2 1 1 0 0 0 0 1 -1