(2S)-2-ammonio-3-mercaptopropanoate
C₃H₇NO₂S·121.160 g/mol·CID 6419721
IUPAC: (2S)-2-azaniumyl-3-sulfanylpropanoate
Also known as: D-cysteine zwitterion, CHEBI:35236, (2S)-2-ammonio-3-sulfanylpropanoate
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
121.160g/mol
Exact Mass
121.019750Da
Monoisotopic Mass
121.019750Da
XLogP
-1.8
Polar Surface Area
68.8Ų
Complexity
69
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
7
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 121.2 g/mol
MW ≤ 500
✓ -1.8
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/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
Isomers8 compounds with formula C₃H₇NO₂S
(2R)-2-amino-3-sulfanylpropanoic acid
CID 5862 · 121.2 g/mol
(2R)-2-azaniumyl-3-sulfanylpropanoate
CID 6419722 · 121.2 g/mol
2-amino-3-sulfanylpropanoic acid
CID 594 · 121.2 g/mol
(2S)-2-amino-3-sulfanylpropanoic acid
CID 92851 · 121.2 g/mol
1,2-thiazolidine 1,1-dioxide
CID 642157 · 121.2 g/mol
2-azaniumyl-3-sulfanylpropanoate
CID 5260155 · 121.2 g/mol
cyclopropanesulfonamide
CID 15765418 · 121.2 g/mol
prop-2-ene-1-sulfonamide
CID 14028213 · 121.2 g/mol