3896043 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 13 15 15 15 17 17 17 18 18 18 19 19 19 14 16 20 8 11 28 12 14 33 16 19 40 20 43 44 9 14 21 10 22 23 11 24 25 26 27 13 16 29 15 30 31 17 18 32 34 35 36 37 38 39 20 41 42 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 4 9 14 21 3 1 12 5 13 16 29 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 4.777 7.9575 6.3827 2.809 5.3122 6.7985 8.0769 3.618 3.309 2.309 2 6.2633 6.4712 4.5691 7.4223 7.0064 7.6302 8.1654 7.5417 7.3338 3.715 3.9155 3.2442 2.3738 1.7026 1.4336 1.69 2.809 6.1344 5.8516 6.3849 7.2934 5.1833 7.0237 7.7591 8.2366 8.5803 8.6262 7.7505 6.2089 7.8702 8.1165 7.948 8.6666 -2.4907 -0.7923 2.4512 -1.7913 -0.8434 0.4949 2.8113 -1.2035 -0.2525 -0.2525 -1.2035 -1.1524 -2.1306 -1.5125 -2.4396 -0.4833 -3.4177 -1.7704 1.164 2.1421 -1.8159 -0.1235 0.3641 0.3641 -0.1235 -0.9513 -1.7404 -2.4113 -0.546 -2.1522 -2.7445 -1.8331 -0.2369 -3.5466 -4.0242 -3.2888 -2.2312 -1.3556 -1.3097 0.6865 0.6382 1.3962 3.4177 2.6197 3 3 8 12 14 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 371 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073B000000000000000000000000000000160000000000000000000000000000000001E00100000000D28C18004020002C000000800011010000000000000000000818800000040120080201400000016008000001801000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NOOJLZTTWSNHOX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.18484064 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H24N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1 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 2021.05.07 284.18484064 20 2 0 2 0 0 0 0 1 -1