2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid

C11H14N2O4S — CID 107768364

IUPAC2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
SMILESCOc1ccc(SCC(NC(C)=O)C(=O)O)nc1
InChIInChI=1S/C11H14N2O4S/c1-7(14)13-9(11(15)16)6-18-10-4-3-8(17-2)5-12-10/h3-5,9H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHYNVLGGAJHSDPG-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.77
Rot. Bonds6

About 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid

2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid (PubChem CID 107768364) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
PubChem CID107768364
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
SMILESCOc1ccc(SCC(NC(C)=O)C(=O)O)nc1
InChIInChI=1S/C11H14N2O4S/c1-7(14)13-9(11(15)16)6-18-10-4-3-8(17-2)5-12-10/h3-5,9H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHYNVLGGAJHSDPG-UHFFFAOYSA-N
XLogP0.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic 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-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
2-acetamido-3-[2-hydroxy-1-(4-methoxyphenyl)propyl]sulfanylpropanoic acid
CID 86273290
2-acetamido-3-[3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propyl]sulfanylpropanoic acid
CID 23844023
2-acetamido-3-[(4-methyl-2-pyridinyl)sulfanyl]propanoic acid
CID 107768382
3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 106504352
(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid
CID 107775218
2-acetamido-3-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]propanoic acid
CID 107768334
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 107768367
(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 107775172
(2R)-2-acetamido-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)propanoic acid
CID 114000104
2-ethylsulfanyl-5-methoxypyridine
CID 134311187

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid (CID 107768364) is 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid is COc1ccc(SCC(NC(C)=O)C(=O)O)nc1.
What is the InChIKey of 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid?
The InChIKey is HYNVLGGAJHSDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7(14)13-9(11(15)16)6-18-10-4-3-8(17-2)5-12-10/h3-5,9H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid?
2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid has a molecular weight of 270.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid is sourced from PubChem (CID 107768364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).