(2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propanoic acid
PubChem CID: 71746251
Connections displayed (default: 10).
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| Topological Polar Surface Area | 114.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C11H15N3O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AMYMYLNREHJDCT-RNJXMRFFSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.578 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.02 |
| Compound Name | (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 253.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 253.106 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 253.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8878996000000001 |
| Inchi | InChI=1S/C11H15N3O4/c1-5-2-6(18-10(5)17)3-7(9(15)16)8-4-13-11(12)14-8/h2,6-8H,3-4H2,1H3,(H,15,16)(H3,12,13,14)/t6-,7+,8-/m0/s1 |
| Smiles | CC1=C[C@H](OC1=O)C[C@H]([C@@H]2CN=C(N2)N)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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