3-Aminobutanoic Acid

CAT: 1299-RG-A261371-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261371-01Size:10 mg

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CAS Number

541-48-0

Synonyms

3-aminobutanoic acid

Molecular Formula

C4H9NO2

Molecular Weight

103.12

Product Name Synonym

3-aminobutanoic acid

Chemical Information

Beta-Aminobutyric Acid

3-aminobutanoic acid is a beta-amino acid that is butyric acid which is substituted by an amino group at position 3. It has a role as a metabolite. It is a monocarboxylic acid and a beta-amino acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-aminobutyrate. It is a tautomer of a 3-aminobutanoic acid zwitterion.

CAS Number	541-48-0
PubChem CID	10932
IUPAC Name	3-aminobutanoic acid
Molecular Formula	C4H9NO2
Molecular Weight	103.12
XLogP	-3.1
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	72

SMILES

CC(CC(=O)O)N

InChI

InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey

OQEBBZSWEGYTPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 541-48-0

CID: 10932

Formula: C4H9NO2

MW: 103.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	103.12
XLogP3	-3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	103.063328530
Monoisotopic Mass	103.063328530
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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3-Aminobutanoic Acid

Chemical Information

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