(2S)-2-amino-5-[2-(2,4-dimethoxyphenyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID: 162869546
Connections displayed (default: 10).
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| Topological Polar Surface Area | 123.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-5-[2-(2,4-dimethoxyphenyl)hydrazinyl]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.9 |
| Molecular Formula | C13H19N3O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCKQHQTUJHNYAF-VIFPVBQESA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -2.041 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.091 |
| Compound Name | (2S)-2-amino-5-[2-(2,4-dimethoxyphenyl)hydrazinyl]-5-oxopentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 297.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.132 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 297.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4784567714285711 |
| Inchi | InChI=1S/C13H19N3O5/c1-20-8-3-5-10(11(7-8)21-2)15-16-12(17)6-4-9(14)13(18)19/h3,5,7,9,15H,4,6,14H2,1-2H3,(H,16,17)(H,18,19)/t9-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)NNC(=O)CC[C@@H](C(=O)O)N)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polypodium Glycyrrhiza (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients