2-(2-sulfanylpropanoylamino)acetic acid

C5H9NO3S — CID 5483

💊View drug profile → tiopronin
IUPAC2-(2-sulfanylpropanoylamino)acetic acid
SMILESCC(S)C(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
InChIKeyYTGJWQPHMWSCST-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2-sulfanylpropanoylamino)acetic acid

2-(2-sulfanylpropanoylamino)acetic acid (PubChem CID 5483) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-(2-sulfanylpropanoylamino)acetic acid.

Molecular Properties

Compound Name2-(2-sulfanylpropanoylamino)acetic acid
PubChem CID5483
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name2-(2-sulfanylpropanoylamino)acetic acid
SMILESCC(S)C(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
InChIKeyYTGJWQPHMWSCST-UHFFFAOYSA-N
XLogP-0.49
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-sulfanylpropanoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,3,3-trideuterio-2-sulfanylpropanoyl)amino]acetic acid
CID 45040535
(2R)-2-acetamido-3-sulfanylpropanoic acid;2-(2-sulfanylpropanoylamino)acetic acid
CID 158370316
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium
CID 145330840
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
propan-2-yl 2-[[(2S)-2-sulfanylpropanoyl]amino]acetate
CID 124677164
ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
CID 145330870
propan-2-yl 2-(2-sulfanylpropanoylamino)acetate
CID 86138159
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide
CID 131862944
2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
CID 143300236

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylpropanoylamino)acetic acid?
The IUPAC name of 2-(2-sulfanylpropanoylamino)acetic acid (CID 5483) is 2-(2-sulfanylpropanoylamino)acetic acid.
What is the SMILES notation for 2-(2-sulfanylpropanoylamino)acetic acid?
The canonical SMILES for 2-(2-sulfanylpropanoylamino)acetic acid is CC(S)C(=O)NCC(=O)O.
What is the InChIKey of 2-(2-sulfanylpropanoylamino)acetic acid?
The InChIKey is YTGJWQPHMWSCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8).
What are the key properties of 2-(2-sulfanylpropanoylamino)acetic acid?
2-(2-sulfanylpropanoylamino)acetic acid has a molecular weight of 163.20 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylpropanoylamino)acetic acid is sourced from PubChem (CID 5483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).