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Isoleucine (data page)

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Chemical data page
The complete data for Isoleucine ()
Chemical structure of IsoleucineChemical structure of IsoleucineGeneral informationChemical formula: C6H13NO2
Molar mass: 131.18 g·mol
Systematic name:
(2S,3S)-2-amino-3-methylpentanoic acid
Abbreviations: I, Ile
Synonyms:
{2/α}-amino-{3/β}-methylvaleric acid
3-methyl-{/erythro-}norvaline
Amino-sec-butyl-acetic acid
Amino(1-methylpropyl)-acetic acid
Database data
SMILES: CC(C)(C(=O)O)N
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H
ATC: N/ACAS: 73-32-5DrugBank: N/AEINECS: 200-798-2 PubChem: 6306
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
Phase behavior
Solid properties
Tm: 284 °C 		Liquid properties
Gas properties
Hazard properties
MSDS N/AMain hazards:- N/ANFPA 704Flash point- N/ARTECS number:
N/A
Chemical properties
XLogP: -1.743 pI: 6.02pKa: 2.26; 9.60Tautomers: Hydrogen bond: donor - 2 ;  acceptor - 3
Pharmacological properties
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References

  1. ^a ^b ^c ^d ^e ^f ^g CID 6306 from PubChem
Encoded (proteinogenic) amino acids
General topics
Unspecified L-amino acid
By properties
Aliphatic
Aromatic
Polar, uncharged
Positive charge (pKa)
Negative charge (pKa)
Category: