Beta-Alanine

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CAS Number

107-95-9

Synonyms

3-Aminopropionic AcidH-?-Ala-OH

Molecular Formula

C3H7NO2

Molecular Weight

89.09

API Name

Alanine

Chemical Information

Beta-Alanine

Beta-alanine is a naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. It has a role as a neurotransmitter, an inhibitor, an agonist, a human metabolite and a fundamental metabolite. It is a conjugate acid of a beta-alaninate. It is a tautomer of a beta-alanine zwitterion.

CAS Number	107-95-9
PubChem CID	239
IUPAC Name	3-aminopropanoic acid
Molecular Formula	C3H7NO2
Molecular Weight	89.09
XLogP	-3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	52

SMILES

C(CN)C(=O)O

InChI

InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

InChIKey

UCMIRNVEIXFBKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-95-9

CID: 239

Formula: C3H7NO2

MW: 89.09

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	89.09
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	89.047678466
Monoisotopic Mass	89.047678466
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	52.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-A01549-01	3-Phenylamino-L-Alanine
AR-A05817-01	N-Acetyl-ÃŸ-alanine
AR-A05826-01	Alanine Related Comound 1
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AR-A01559-01	N-phthalyl-L-alanine
AR-A05834-01	Alanine Diketopiperazine (Mixture of Diastereomers)

Alternative Products

Catalog	Name
TRC-A637320-5G	beta-Alanine
074-18	Alanine, beta
FF47331-01	Fmoc-beta-alanine
260520-01	Acetyl-beta-alanine
260711	-beta-Alanine beta-naphthylamide hydrobromide
FC48795-01	Beta-Chloro-D-alanine
269770-01	-beta-Cyclopentyl-D-alanine
269715-01	-beta-Cyclopentyl-L-alanine
MBS3842980-01	beta-cyano-L-Alanine
sc-296724	Z-beta-alanine amide

Beta-Alanine

Chemical Information

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