DL-Isoleucine 100g

CAT: 0628-A23313-100000Size: 100000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23313-100000Size:100000 mg

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CAS Number

443-79-8

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 Number	443-79-8
PubChem CID	791
IUPAC Name	2-amino-3-methylpentanoic acid
Molecular Formula	C6H13NO2
Molecular Weight	131.17
XLogP	-1.7
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	103

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

CAS: 443-79-8

CID: 791

Formula: C6H13NO2

MW: 131.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	131.17
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	131.094628657
Monoisotopic Mass	131.094628657
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DL-Isoleucine 100g

Chemical Information

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