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N-Acetyl-DL-Valine

CAT: 0572-TRC-A186658-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A186658-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3067-19-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)C(NC(=O)C)C(=O)O
Molecular Formula
C7 H13 N O3
Molecular Weight
159.183
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)
Additionnal Information
IUPAC name: 2-acetamido-3-methylbutanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Acetylvaline

N-Acetyl-Valine is a N-acyl-amino acid.

CAS Number3067-19-4
PubChem CID227752
IUPAC Name2-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(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)
InChIKey
IHYJTAOFMMMOPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Acetylvaline
CAS: 3067-19-4
CID: 227752
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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