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(+)-alpha-Methyl-Beta-alanine

CAT: 0572-TRC-M276560-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M276560-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4249-19-8
Synonyms
(2S)-3-Amino-2-methylpropanoic Acid; Propanoic acid, 3-amino-2-methyl-, (S)-; β-Alanine, 2-methyl-, L- (8CI); (2S)-3-Amino-2-methylpropanoic acid; (+)-3-Amino-2-methylpropionic acid; (+)-α-Methyl-β-alanine; (+)-β-Aminoisobutyric acid; (S)-3-Amino-2-methylpropionic acid; (S)-β-Aminoisobutyric acid; 2(S)-Methyl-β-alanine; L-3-Amino-2-methylpropanoic acid; L-3-Amino-2-methylpropionic acid; L-3-Aminoisobutyric acid; L-β-Aminoisobutyric Acid; (+)-α-Methyl-β-alanine;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C[C@@H](CN)C(=O)O
Molecular Formula
C4H9NO2
Molecular Weight
103.12
InChI
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Additionnal Information
IUPAC name: (2S)-3-amino-2-methyl-propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-beta-Aminoisobutyric acid

(S)-3-aminoisobutyric acid is a 3-aminoisobutyric acid and a beta-amino acid. It has a role as a human metabolite. It is a conjugate acid of a (S)-3-aminoisobutyrate. It is an enantiomer of a (R)-3-aminoisobutyric acid. It is a tautomer of a (S)-3-aminoisobutyric acid zwitterion.

CAS Number4249-19-8
PubChem CID439434
IUPAC Name(2S)-3-amino-2-methylpropanoic acid
Molecular FormulaC4H9NO2
Molecular Weight103.12
XLogP-2.9
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
C[C@@H](CN)C(=O)O
InChI
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
QCHPKSFMDHPSNR-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of L-beta-Aminoisobutyric acid
CAS: 4249-19-8
CID: 439434
Formula: C4H9NO2
MW: 103.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight103.12
XLogP3-2.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass103.063328530
Monoisotopic Mass103.063328530
Topological Polar Surface Area63.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.1
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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