beta-alanine
C₃H₇NO₂·89.090 g/mol·CID 239
IUPAC: 3-aminopropanoic acid
Also known as: 3-Aminopropanoic acid, 107-95-9, 3-Aminopropionic acid, Abufene, Beta Alanine (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
89.090g/mol
Exact Mass
89.047678Da
Monoisotopic Mass
89.047678Da
XLogP
-3.0
Polar Surface Area
63.3Ų
Complexity
52
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 89.1 g/mol
MW ≤ 500
✓ -3.0
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₃H₇NO₂
ethyl carbamate
CID 5641 · 89.1 g/mol
(2S)-2-aminopropanoic acid
CID 5950 · 89.1 g/mol
2-(methylamino)acetic acid
CID 1088 · 89.1 g/mol
2-aminopropanoic acid
CID 602 · 89.1 g/mol
2-nitropropane
CID 398 · 89.1 g/mol
1-nitropropane
CID 7903 · 89.1 g/mol
(2R)-2-aminopropanoic acid
CID 71080 · 89.1 g/mol
(2S)-2-azaniumylpropanoate
CID 7311724 · 89.1 g/mol