| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 16 | Yes |
Popular Name: 2-{[(4-methylphenyl)sulfonyl]amino}propanoic acid 2-{[(4-methylphenyl)sulfonyl]ami…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4816-81-3 , n / a , [4816-81-3]
2-(4-Methylphenylsulfonamido)propanoic acid
2-(p-Toluenesulfonylamino)propionic acid
2-(TOLUENE-4-SULFONYLAMINO)-PROPIONIC ACID
2-[[(4-methylphenyl)sulfonyl]amino]propanoic acid
alanine, N-[(4-methylphenyl)sulfonyl]-
METHYLPHENYLSULFONYLAMINOPROPANOICACI
N-(p-Toluenesulfonyl)-DL-alanine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.43 | 2.76 | -47.74 | 1 | 5 | -1 | 86 | 242.276 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.460000000000000e+002 - 1.480000000000000e+002 | KeyOrganics |
| melting_point | 146 - 148 | KeyOrganics |
| MP | 45° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.