69248 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 5 6 6 7 7 8 8 7 17 9 18 9 6 8 16 6 7 10 11 9 12 8 13 14 15 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 6 4 5 9 12 1 1 7 1 5 8 13 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 6.1807 2.5896 3.1249 5.0929 4.5929 4.2839 5.5929 5.9019 3.3328 3.9864 4.6577 4.1869 6.4324 6.4683 6.2119 5.0929 6.7973 2 -1.5236 -0.1237 1.5236 0.8242 -0.7146 0.2365 -0.7146 0.2365 0.5455 -0.8435 -1.3312 0.8488 -0.5816 -0.0157 0.7734 1.4442 -1.4588 0.0679 5 3 6 7 9 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 125 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623000000000000000000000000000000160000000000000000000000000000000001E0010080000083CE18006000802C00200080000900800000000000000000081880000021012008020044000061000900000DA11000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-4-hydroxypyrrolidine-2-carboxylic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-4-hydroxypyrrolidine-2-carboxylic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-4-oxidanylpyrrolidine-2-carboxylic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-4-hydroxyproline InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PMMYEEVYMWASQN-BKLSDQPFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.058243 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H9NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.12986 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1C(CNC1C(=O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1[C@H](NCC1O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 69.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.058243 9 2 1 1 0 0 0 0 1 1