18875-37-1
C₃H₇NO₂·89.090 g/mol·CID 7311724
IUPAC: (2S)-2-azaniumylpropanoate
Also known as: L-alanine zwitterion, 3ip5, (2S)-2-ammoniopropanoate, CHEBI:57972, 3f48
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
89.090g/mol
Exact Mass
89.047678Da
Monoisotopic Mass
89.047678Da
XLogP
-2.4
Polar Surface Area
67.8Ų
Complexity
56
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
6
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 89.1 g/mol
MW ≤ 500
✓ -2.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
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
3-aminopropanoic acid
CID 239 · 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