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H-DL-Abu-OH

CAT: 1489-D4170-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-D4170-01Size:100 g
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CAS Number
2835-81-6
Purity
0.97

Chemical Information

Alpha-Aminobutyric Acid

Alpha-aminobutyric acid is an alpha-amino acid that is butyric acid bearing a single amino substituent located at position 2. It has a role as a human metabolite. It is a monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a butyric acid. It is a conjugate acid of an alpha-aminobutyrate.

CAS Number2835-81-6
PubChem CID6657
IUPAC Name2-aminobutanoic acid
Molecular FormulaC4H9NO2
Molecular Weight103.12
XLogP-2.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
CCC(C(=O)O)N
InChI
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey
QWCKQJZIFLGMSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Aminobutyric Acid
CAS: 2835-81-6
CID: 6657
Formula: C4H9NO2
MW: 103.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight103.12
XLogP3-2.5
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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