SpectraBase Compound ID | BZP9aaDy9zi |
---|---|
InChI | InChI=1S/C10H11ClN2O3/c11-9-7(3-1-5-12-9)10(16)13-6-2-4-8(14)15/h1,3,5H,2,4,6H2,(H,13,16)(H,14,15) |
InChIKey | UMXSSTMISMBXPS-UHFFFAOYSA-N |
Mol Weight | 242.66 g/mol |
Molecular Formula | C10H11ClN2O3 |
Exact Mass | 242.04582 g/mol |
SpectraBase Spectrum ID | 214bz7GLfq8 |
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Name | 4-{[(2-chloro-3-pyridinyl)carbonyl]amino}butanoic acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 242.045819919 u |
Formula | C10H11ClN2O3 |
InChI | InChI=1S/C10H11ClN2O3/c11-9-7(3-1-5-12-9)10(16)13-6-2-4-8(14)15/h1,3,5H,2,4,6H2,(H,13,16)(H,14,15) |
InChIKey | UMXSSTMISMBXPS-UHFFFAOYSA-N |
Molecular Weight | 242.662 g/mol |
SMILES | N(C(C1=C(N=CC=C1)Cl)=O)CCCC(=O)O |