ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate

C11H14N2O3S — CID 2801041

IUPACethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccnc1SC
InChIInChI=1S/C11H14N2O3S/c1-3-16-9(14)7-13-10(15)8-5-4-6-12-11(8)17-2/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyMIAWRLCCUGFSNL-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate

ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate (PubChem CID 2801041) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate
PubChem CID2801041
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Nameethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccnc1SC
InChIInChI=1S/C11H14N2O3S/c1-3-16-9(14)7-13-10(15)8-5-4-6-12-11(8)17-2/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyMIAWRLCCUGFSNL-UHFFFAOYSA-N
XLogP1.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate (CID 2801041) is ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cccnc1SC.
What is the InChIKey of ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate?
The InChIKey is MIAWRLCCUGFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-16-9(14)7-13-10(15)8-5-4-6-12-11(8)17-2/h4-6H,3,7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate?
ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate has a molecular weight of 254.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 2801041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).