2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid

C14H19N3O5S — CID 2826401

IUPAC2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOc1ccc(NC(=O)CSCC(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C14H19N3O5S/c1-21-12-3-2-10(15-11(18)8-23-9-13(19)20)14(16-12)17-4-6-22-7-5-17/h2-3H,4-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyWKFMGDMEQHXKGJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.68
Rot. Bonds7

About 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 2826401) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID2826401
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOc1ccc(NC(=O)CSCC(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C14H19N3O5S/c1-21-12-3-2-10(15-11(18)8-23-9-13(19)20)14(16-12)17-4-6-22-7-5-17/h2-3H,4-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyWKFMGDMEQHXKGJ-UHFFFAOYSA-N
XLogP0.68
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 2826401) is 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid is COc1ccc(NC(=O)CSCC(=O)O)c(N2CCOCC2)n1.
What is the InChIKey of 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is WKFMGDMEQHXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-21-12-3-2-10(15-11(18)8-23-9-13(19)20)14(16-12)17-4-6-22-7-5-17/h2-3H,4-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 341.39 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 2826401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).