2-Amino-4-carbamoylpentanedioic acid
PubChem CID: 5317731
Connections displayed (default: 10).
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| Topological Polar Surface Area | 144.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 239.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-4-carbamoylpentanedioic acid |
| Prediction Hob | 0.0 |
| Xlogp | -4.4 |
| Molecular Formula | C6H10N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWLNMFOBCLVBRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.815 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.179 |
| Compound Name | 2-Amino-4-carbamoylpentanedioic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.059 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 190.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5979390000000007 |
| Inchi | InChI=1S/C6H10N2O5/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)(H,12,13) |
| Smiles | C(C(C(=O)N)C(=O)O)C(C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Momordica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients