GVE
METHYL 4-AMINOBUTANOATE
Created: | 2004-10-20 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | METHYL 4-AMINOBUTANOATE |
Systematic Name (OpenEye OEToolkits) | methyl 4-azanylbutanoate |
Formula | C5 H11 N O2 |
Molecular Weight | 117.146 |
Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)CCCN |
SMILES | CACTVS | 3.370 | COC(=O)CCCN |
SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)CCCN |
Canonical SMILES | CACTVS | 3.370 | COC(=O)CCCN |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)CCCN |
InChI | InChI | 1.03 | InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3 |
InChIKey | InChI | 1.03 | KVQGGLZHHFGHPU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 18614 |
ChEBI | CHEBI:42955 |