2-amino-3-phenylpropanoic acid
C₉H₁₁NO₂·165.190 g/mol·CID 994
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
165.190g/mol
Exact Mass
165.078979Da
Monoisotopic Mass
165.078979Da
XLogP
-1.5
Polar Surface Area
63.3Ų
Complexity
153
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 165.2 g/mol
MW ≤ 500
✓ -1.5
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
Isomers8 compounds with formula C₉H₁₁NO₂
(2S)-2-amino-3-phenylpropanoic acid
CID 6140 · 165.2 g/mol
ethyl 4-aminobenzoate
CID 2337 · 165.2 g/mol
methyl 2-(methylamino)benzoate
CID 6826 · 165.2 g/mol
2-ethoxybenzamide
CID 3282 · 165.2 g/mol
(2R)-2-amino-3-phenylpropanoic acid
CID 71567 · 165.2 g/mol
(3-methylphenyl) N-methylcarbamate
CID 14322 · 165.2 g/mol
N-(4-methoxyphenyl)acetamide
CID 5827 · 165.2 g/mol
ethyl 2-aminobenzoate
CID 6877 · 165.2 g/mol