2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid

C10H12N2O3S — CID 64582685

IUPAC2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
SMILESCC(=O)NC(CSc1ccccn1)C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-7(13)12-8(10(14)15)6-16-9-4-2-3-5-11-9/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyLAEHSYBQVXEGCO-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.76
Rot. Bonds5

About 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid

2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid (PubChem CID 64582685) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
PubChem CID64582685
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
SMILESCC(=O)NC(CSc1ccccn1)C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-7(13)12-8(10(14)15)6-16-9-4-2-3-5-11-9/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyLAEHSYBQVXEGCO-UHFFFAOYSA-N
XLogP0.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid
CID 107775218
(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
CID 149150673
2-acetamido-3-[(4-methyl-2-pyridinyl)sulfanyl]propanoic acid
CID 107768382
2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
CID 107768364
(2R)-2-acetamido-3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 107775229
2-acetamido-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 107768555
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-acetamido-3-[(4-pyridin-2-ylphenyl)methylsulfanyl]propanoic acid
CID 139600522
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-3-[(3-methyl-2-pyridinyl)methylsulfanyl]propanoic acid
CID 112650448
3,3,3-trifluoro-2-(pyridin-2-ylsulfanylmethyl)propanoic acid
CID 80997161

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid (CID 64582685) is 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid is CC(=O)NC(CSc1ccccn1)C(=O)O.
What is the InChIKey of 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid?
The InChIKey is LAEHSYBQVXEGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7(13)12-8(10(14)15)6-16-9-4-2-3-5-11-9/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid?
2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid has a molecular weight of 240.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 64582685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).