40539 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 4 5 6 6 7 7 7 8 8 8 9 9 9 10 10 6 13 12 20 11 12 13 9 11 10 17 18 11 13 19 10 14 15 12 16 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 10 7 9 12 16 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 3.46 2.5369 6.0291 4.269 3.1812 4.269 2.5369 4.769 4.269 3.403 5.078 3.403 3.769 4.481 4.8796 3.403 2 2.5369 5.1334 2.5369 1.2239 -2.3639 0.9148 -2.3639 2.9839 0.6361 -0.3639 2.1749 -0.3639 -0.8639 1.2239 -1.8639 2.1749 -0.9465 -0.2563 -0.2439 -0.6739 0.2561 2.6765 -2.9839 8 8 8 8 8 5 1 1 6 8 8 10 6 13 11 11 13 7 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 265 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180633800000000000000000000000000000160000000000000000000000000000000001E00140800000828C18004010802D002000800009018000000000000002000818800018240080000001440000A17220000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-azanyl-3-[3,5-bis(oxidanylidene)-1,2,4-oxadiazolidin-2-yl]propanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-3-(3,5-diketo-1,2,4-oxadiazolidin-2-yl)propionic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ASNFTDCKZKHJSW-REOHCLBHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 189.03857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H7N3O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 189.12618 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(=O)O)N)N1C(=O)NC(=O)O1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 122 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 189.03857 13 1 1 0 0 0 0 0 1 3