MLM
Summary
Name: | 3-AMINO-3-OXOPROPANOIC ACID |
Formula: | C3 H5 N O3 |
Formal charge: | 0 |
Formula weight: | 103.077 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-amino-3-oxopropanoic acid |
OpenEye OEToolkits | 1.5.0 | 3-amino-3-oxo-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)CC(O)=O |
SMILES | CACTVS | 3.341 | NC(=O)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)N)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7) |
InChIKey | InChI | 1.03 | CGJMROBVSBIBKP-UHFFFAOYSA-N |