L-Leucine, (S)-
PubChem CID: 312911
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| Compound Synonyms | NSC-225221, NSC225221, N,N'-Bis(L-carboxyisobutylmethyl)benzamidine, L-Leucine, (S)-, WLN: 1Y1&1YVQNUYR&MYVQ1Y1&1 -L, Benzamidine,N'-bis(L-carboxyisobutylmethyl)- |
|---|---|
| Topological Polar Surface Area | 99.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[N-(1-carboxy-3-methylbutyl)-C-phenylcarbonimidoyl]amino]-4-methylpentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C19H28N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXSUAHINKAZKLI-UHFFFAOYSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -3.477 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.803 |
| Compound Name | L-Leucine, (S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.205 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.107246600000001 |
| Inchi | InChI=1S/C19H28N2O4/c1-12(2)10-15(18(22)23)20-17(14-8-6-5-7-9-14)21-16(19(24)25)11-13(3)4/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,20,21)(H,22,23)(H,24,25) |
| Smiles | CC(C)CC(C(=O)O)NC(=NC(CC(C)C)C(=O)O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients