The complete data for Isoleucine

General information

Chemical formula: C₆H₁₃N O₂
Molar mass: 131.18 ^a g·mol⁻¹
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@H](C)[C@@H](C(=O)O)N ^b
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 ^c

ATC: N/A

CAS: 73-32-5

DrugBank: N/A

EINECS: 200-798-2 ^d

PubChem: 6306

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

NMR

Phase behavior

Solid properties

T_m: 284 °C

Liquid properties

Gas properties

Hazard properties

MSDS N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

R/S statement

R: N/A
S: N/A

RTECS number:
N/A

Chemical properties

XLogP: -1.743 ^e

pI: 6.02

pK_a: 2.26; 9.60

Tautomers:

Hydrogen bond: donor - 2 ^f; acceptor - 3 ^g

Pharmacological properties

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

^a ^b ^c ^d ^e ^f ^g CID 6306 from PubChem

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Isoleucine (data page)

References