3035052 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 7 7 6 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 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 12 12 7 22 11 13 25 13 9 11 20 12 23 24 8 9 11 10 14 15 16 17 12 18 19 13 21 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 1 8 9 11 3 1 12 6 10 13 21 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 23 24 25 3.5981 3.891 2.866 2 5.5981 4.5981 4.5981 4.5981 5.5981 3.732 4.5981 3.732 2.866 5.2087 4.8101 6.2181 5.5981 3.1215 3.52 6.0365 3.732 3.2881 4.5981 5.135 2.3291 -1.3014 -3.0086 2.6986 1.1986 -2.3014 1.6986 -1.3014 -0.3014 -1.3014 0.1986 -2.3014 1.1986 1.6986 -0.4091 0.2812 -1.3014 -0.6814 0.3062 -0.3841 -2.7398 1.8186 -1.8384 2.3186 1.3886 3.0086 3 3 7 12 1 6 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 243 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0633800000000000000000000000000580000000000000000000000000000000000001E00100800000C6CC18004000802C00200080001901802000000000000000081C8000002001A008000044000041600100001B86D145C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-4-(3-hydroxy-2-oxo-azetidin-3-yl)butanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-4-(3-hydroxy-2-oxo-3-azetidinyl)butanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-4-(3-hydroxy-2-oxoazetidin-3-yl)butanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-4-(3-hydroxy-2-oxoazetidin-3-yl)butanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanyl-4-(3-oxidanyl-2-oxidanylidene-azetidin-3-yl)butanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-4-(3-hydroxy-2-keto-azetidin-3-yl)butyric acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H12N2O4/c8-4(5(10)11)1-2-7(13)3-9-6(7)12/h4,13H,1-3,8H2,(H,9,12)(H,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BSUXZTMOMIFYBF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.07970687 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H12N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(C(=O)N1)(CCC(C(=O)O)N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(C(=O)N1)(CCC(C(=O)O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.07970687 13 2 0 2 0 0 0 0 1 -1