55289370 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 8 9 18 9 10 7 10 17 10 19 20 7 8 9 11 12 13 14 15 16 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 7 8 9 11 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 7.7331 6.8671 3.403 4.269 2.5369 6.001 5.135 6.001 6.8671 3.403 6.538 5.5335 4.7365 5.381 6.001 6.621 4.269 8.27 2 2.5369 -0.25 1.25 1.25 -0.25 -0.25 -0.25 0.25 -1.25 0.25 0.25 -0.56 0.7249 0.7249 -1.25 -1.87 -1.25 -0.87 0.06 0.06 -0.87 6 6 8 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 146 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100800000D00C18004030802C002000800009018000000000000000000810800008000080000000440000216020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-methyl-3-ureido-propanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-3-(carbamoylamino)-2-methylpropanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-3-(carbamoylamino)-2-methylpropanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-3-(carbamoylamino)-2-methylpropanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-3-(aminocarbonylamino)-2-methyl-propanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-methyl-3-ureido-propionic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PHENTZNALBMCQD-GSVOUGTGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 146.06914219 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H10N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 146.14 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CNC(=O)N)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@H](CNC(=O)N)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 92.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 146.06914219 10 1 1 0 0 0 0 0 1 -1