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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Related Compounds

2-acetamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897328
(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897240
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 103878789
2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]acetic acid
CID 82897271
4-methylsulfanyl-2-[5-(2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 82031433
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]pyridin-2-one
CID 82896561
(2S)-4-methylsulfanyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 61152547
2-formamido-3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]propanoic acid
CID 114528072
(2S)-2-amino-3-methyl-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]butanoic acid
CID 114189281
2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
3-[(2,6-dichloro-3-pyridinyl)methylsulfanyl]-2-formamidopropanoic acid
CID 106994686
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758

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).