2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid

C11H14N2O4S — CID 82897406

IUPAC2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
SMILESO=CNC(CSCCn1ccccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4S/c14-8-12-9(11(16)17)7-18-6-5-13-4-2-1-3-10(13)15/h1-4,8-9H,5-7H2,(H,12,14)(H,16,17)
InChIKeyAYLYTEMFSDRBBU-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.22
Rot. Bonds8

About 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid

2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid (PubChem CID 82897406) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
PubChem CID82897406
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
SMILESO=CNC(CSCCn1ccccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4S/c14-8-12-9(11(16)17)7-18-6-5-13-4-2-1-3-10(13)15/h1-4,8-9H,5-7H2,(H,12,14)(H,16,17)
InChIKeyAYLYTEMFSDRBBU-UHFFFAOYSA-N
XLogP-0.22
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
The IUPAC name of 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid (CID 82897406) is 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid.
What is the SMILES notation for 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
The canonical SMILES for 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid is O=CNC(CSCCn1ccccc1=O)C(=O)O.
What is the InChIKey of 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
The InChIKey is AYLYTEMFSDRBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-8-12-9(11(16)17)7-18-6-5-13-4-2-1-3-10(13)15/h1-4,8-9H,5-7H2,(H,12,14)(H,16,17).
What are the key properties of 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid has a molecular weight of 270.31 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid is sourced from PubChem (CID 82897406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).