131685-11-5
C₅H₉NO₃S·166.220 g/mol·CID 54211755
IUPAC: (2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Also known as: (2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid, (2R)-3-sulfanyl-2-((2,2,2-trideuterioacetyl)amino)propanoic acid, RefChem:397356, 873-825-4, N-Acetyl-L-cysteine-d3 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
166.220g/mol
Exact Mass
166.049145Da
Monoisotopic Mass
166.049145Da
XLogP
0.4
Polar Surface Area
67.4Ų
Complexity
148
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
10
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 166.2 g/mol
MW ≤ 500
✓ 0.4
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H319Causes serious eye irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1/i1D3
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
2-(3-sulfanylpropanoylamino)acetic acid
CID 165505 · 163.2 g/mol
(4S)-4-amino-5-oxo-5-sulfanylpentanoic acid
CID 11768883 · 163.2 g/mol