6513-26-4
C₅H₉NO₃S·163.200 g/mol·CID 165505
IUPAC: 2-(3-sulfanylpropanoylamino)acetic acid
Also known as: CHEMBL77677, N-(3-Mercapto-1-oxopropyl)glycine, n-(3-sulfanylpropanoyl)glycine, Glycine, N-(3-mercapto-1-oxopropyl)-, mercaptopropionyl-glycine (+6 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
163.200g/mol
Exact Mass
163.030314Da
Monoisotopic Mass
163.030314Da
XLogP
0.5
Polar Surface Area
67.4Ų
Complexity
137
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 163.2 g/mol
MW ≤ 500
✓ 0.5
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H9NO3S/c7-4(1-2-10)6-3-5(8)9/h10H,1-3H2,(H,6,7)(H,8,9)
Isomers8 compounds with formula C₅H₉NO₃S
(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 12035 · 163.2 g/mol
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483 · 163.2 g/mol
2-acetamido-3-sulfanylpropanoic acid
CID 581 · 163.2 g/mol
(2S)-2-acetamido-3-sulfanylpropanoic acid
CID 94364 · 163.2 g/mol
2-[[(2R)-2-sulfanylpropanoyl]amino]acetic acid
CID 208825 · 163.2 g/mol
(2R)-3-acetylsulfanyl-2-aminopropanoic acid
CID 10130120 · 163.2 g/mol
(2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
CID 54211755 · 166.2 g/mol
(4S)-4-amino-5-oxo-5-sulfanylpentanoic acid
CID 11768883 · 163.2 g/mol