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Acetylvaline

CAT: 0013-GTR19244044-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244044-02Size:1 g
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Description
Acetylvaline is an endogenous metabolite.
CAS Number
96-81-1
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (628.22 mM; Ultrasonic)
Smiles
CC (C) [C@H] (NC (C) =O) C (O) =O
Molecular Formula
C7H13NO3
Molecular Weight
159.18
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-Acetyl-L-valine

N-acetyl-L-valine is an L-valine derivative in which one of the amino hydrogens of L-valine has been replaced by an acetyl group. It is a N-acetyl-L-amino acid and a L-valine derivative. It is a conjugate acid of a N-acetyl-L-valinate.

CAS Number96-81-1
PubChem CID66789
IUPAC Name(2S)-2-acetamido-3-methylbutanoic acid
Molecular FormulaC7H13NO3
Molecular Weight159.18
XLogP0
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey
IHYJTAOFMMMOPX-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-L-valine
CAS: 96-81-1
CID: 66789
Formula: C7H13NO3
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass159.08954328
Monoisotopic Mass159.08954328
Topological Polar Surface Area66.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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