2-Amino-5-[(3-methyl-2,5-dihydrofuran-2-yl)amino]-5-oxopentanoic acid
PubChem CID: 102377982
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| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(3-methyl-2,5-dihydrofuran-2-yl)amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.6 |
| Molecular Formula | C10H16N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NWUDALIQMUEQSX-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.53 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.751 |
| Compound Name | 2-Amino-5-[(3-methyl-2,5-dihydrofuran-2-yl)amino]-5-oxopentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.111 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0278624 |
| Inchi | InChI=1S/C10H16N2O4/c1-6-4-5-16-9(6)12-8(13)3-2-7(11)10(14)15/h4,7,9H,2-3,5,11H2,1H3,(H,12,13)(H,14,15) |
| Smiles | CC1=CCOC1NC(=O)CCC(C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemerocallis Fulva (Plant) Rel Props:Source_db:cmaup_ingredients