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(rac) -Isoleucine

CAT: 0931-T206002Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T206002Size:1 g
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CAS Number
2095501-92-9
Target
Others
Related Pathways
Others
Purity
0.9832
Bioactivity
(rac) -Isoleucine is a racemic mixture of Isoleucine diastereomers (L-isoleucine, L-alloisoleucine, D-isoleucine, D-alloisoleucine) . L-Isoleucine, a branched-chain amino acid, functions in nitrogen donation, glucose/fatty acid metabolism, and immune regulation. L-Alloisoleucine derives from L-Isoleucine transamination.
Smiles
O=C(O)C(N)C(C)CC
Molecular Formula
C6H13NO2
Molecular Weight
131.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-3-methylpentanoic acid

2-amino-3-methylpentanoic acid is a branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. It is a branched-chain amino acid and an alpha-amino acid.

CAS Number2095501-92-9
PubChem CID791
IUPAC Name2-amino-3-methylpentanoic acid
Molecular FormulaC6H13NO2
Molecular Weight131.17
XLogP-1.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
CCC(C)C(C(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKey
AGPKZVBTJJNPAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3-methylpentanoic acid
CAS: 2095501-92-9
CID: 791
Formula: C6H13NO2
MW: 131.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight131.17
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass131.094628657
Monoisotopic Mass131.094628657
Topological Polar Surface Area63.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes