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H-allo-Ile-OH

CAT: 0127-OR36340-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR36340-01Size:100 mg
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CAS Number
1509-34-8
MDL Number
MFCD00066446
Purity
97%
Smiles
CC[C@@H](C)[C@H](N)C(=O)O

Chemical Information

Alloisoleucine, DL-

L-alloisoleucine is an optically active form of alloisoleucine having L-(2S,3R)-configuration. It has a role as a human metabolite. It is an alloisoleucine and a non-proteinogenic L-alpha-amino acid. It is an enantiomer of a D-alloisoleucine. It is a tautomer of a L-alloisoleucine zwitterion.

CAS Number1509-34-8
PubChem CID99288
IUPAC Name(2S,3R)-2-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
CC[C@@H](C)[C@@H](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)/t4-,5+/m1/s1
InChIKey
AGPKZVBTJJNPAG-UHNVWZDZSA-N
Chemical Structure
2D Structure
2D structure of Alloisoleucine, DL-
CAS: 1509-34-8
CID: 99288
Formula: C6H13NO2
MW: 131.17
Interactive 3D Structure
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View on PubChemRaw 3D data
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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OR1025743-01H-Val-Ile-OH
OR36341-01H-D-Ile-OH
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Alternative Products

CatalogName
4006513.1H-allo-Ile-OH
5-02937H-D-Allo-Ile-OH
4007215.0001H-DL-allo-Ile-OH
4026721.0005Fmoc-allo-Ile-OH
A-3345.0005Boc-allo-Ile-OH

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