| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: (2S,3R)-2-Amino-3-methylpentanoic acid (2S,3R)-2-Amino-3-methylpentanoi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1509-34-8 , 1509-35-9 , 3107-04-8 , 319-78-8 , 443-79-8 , 73-32-5 , [443-79-8]
(+/-)-2-Amino-3-methylpentanoic acid
(+/-)-erythro-form;(+/-)-Isoleucine;FEMA 3295;Isoleucine
(2R,3R)-2-Amino-3-methylpentanoicacid
(2S,3S)-2-amino-3-methylpentanoic acid
(R)-Isoleucine; BRN 1721793; D-Isoleucine; EINECS 206-269-2; LS-84761
2-amino-3-methylpentanoic acid
CHEBI:21220; CHEBI:43430; CHEBI:43443
L(+)-Alloisoleucine; alle; threo-3-methyl-L-Norvaline; threo-L-Isoleucine
L-ALLO-2-AMINO-3-METHYLPENTANOIC ACID
L-allo-Isoleucine [1509-34-8]; (H-allo-lle-OH)
L-allo-Isoleucine, 99%, 99% ee
| 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) | -1.41 | 2.29 | -38.09 | 3 | 3 | 0 | 68 | 131.175 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.083 | Bitter DB |
| ALOGPS_SOLUBILITY | 1.14e+02 g/l | DrugBank-experimental |
| Mp [°C] | 284 - 286 | Acros Organics |
| Mp [°C] | 285 | Acros Organics |
| UniProt Database Links | 2ENR_CLOTY; A70A_DROME; ACDSB_HUMAN; AK1_ARATH; AK1_BACSU; AK2_ARATH; AK2_BACSU; AK3_ARATH; AK3_BACSU; AKH1_ARATH; AKH2_ARATH; AK_BACSG; AK_COREF; AK_CORFL; AK_CORGL; AK_GEOSE; AK_MYCBO; AK_MYCSM; AK_MYCTU; AK_THET2; AK_THETH; ALDC_STRTR; ALDR_LACLA; ALL1 | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 280? dec. | Alfa-Aesar |
| Melting_Point | ca 280° dec. | Alfa-Aesar |
| Notes | Pyrogen free fw 131.2 | Apollo Scientific Bioactives |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Patent Database Links | WO2006004433 | ChEBI |
| MP | ~285 °C | Indofine |
