| Phytochemical Name : L-Alloisoleucine |
| PCNDIDL0011 |
| Pubchem CID : 99288 |
| Molecular formula: C6H13NO2 |
| Canonical SMILES : CCC(C)C(C(=O)O)N |
Synonymes : L-Alloisoleucine|L-allo-Isoleucine|1509-34-8|Alloisoleucine|(2S,3R)-2-amino-3-methylpentanoic acid|Allo-Isoleucine|H-Allo-Ile-OH|allo-L-Isoleucine|(3R)-LS-isoleucine|Alloisoleucine, L-|L(+)-Alloisoleucine|Isoleucine, allo-|Isoleucine, threo-|L-Isoleucine, allo-|L-Isoleucine, threo-|L-Norvaline, 3-methyl-, threo-|DL-Allo-isoleucine|threo-L-Isoleucine|Alloisoleucine, DL-|Norvaline, 3-methyl-, threo-|L-Isoleucine, 3-methyl-, threo-|EINECS 216-142-3|UNII-6RNR8XN7S2|NSC 206282|threo-3-methyl-L-Norvaline|BRN 1721791|6RNR8XN7S2|Pentanoic acid, 2-amino-3-methyl-, (S-(R*,S*))-|3107-04-8|05T3WT3PJ1|DTXSID3046530|CHEBI:43433|DL-Alloisoleucine|alle|(2S,3R)-rel-2-Amino-3-methylpentanoic acid|MFCD00066446|[S-(R*,S*)]-2-Amino-3-methylpentanoic acid|4-04-00-02777 (Beilstein Handbook Reference)|(S-(R*,S*))-2-AMINO-3-METHYLPENTANOIC ACID|NSC-206282|NCGC00166071-01|Allo-DL-isoleucine|ISO-ISOLEUCINE|(+)-L-allo isoleucine|UNII-05T3WT3PJ1|SCHEMBL42328|CHEMBL56053|DTXCID1026530|(+/-)-ALLO-ISOLEUCINE|DTXSID501019679|HY-I1060|EINECS 221-464-2|ISOLEUCINE L-ALLO-FORM [MI]|Tox21_112304|(2S,3R)-2-amino-3-methylpentanoate|AKOS016842770|AM81861|DB01739|FD21836|FD21837|L-allo-Isoleucine (H-L-allo-Ile-OH)|AS-49218|LS-16356|CAS-1509-34-8|(2S,3R)-2-amino-3-methyl-pentanoic acid|[S-(R*,S*)]-2-Amino-3-methylpentanoate|(2S,3R)-rel-2-Amino-3-methylpentanoicacid|2-amino-3-methyl-[S-(R*,S*)]-Pentanoate|CS-0011133|EN300-99057|C21096|2-amino-3-methyl-[S-(R*,S*)]-Pentanoic acid|A809090|Q27092902 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.260 |
| Log Po/w (XLOGP3) : -1.720 |
| Log Po/w (WLOGP) : 0.440 |
| Log Po/w (MLOGP) : -1.820 |
| Log Po/w (SILICOS-IT) : -0.150 |
| Consensus Log Po/w : -0.400 |