(2S)-2-amino-5-[[(1R)-2-carboxy-1-phenylethyl]amino]-5-oxopentanoic acid
PubChem CID: 101782890
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| Topological Polar Surface Area | 130.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1R)-2-carboxy-1-phenylethyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.7 |
| Molecular Formula | C14H18N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDPGQVFKQDLMJA-WDEREUQCSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -2.164 |
| Rotatable Bond Count | 8.0 |
| Logd | -0.203 |
| Compound Name | (2S)-2-amino-5-[[(1R)-2-carboxy-1-phenylethyl]amino]-5-oxopentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.122 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.04411762857142876 |
| Inchi | InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11+/m0/s1 |
| Smiles | C1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Source_db:cmaup_ingredients