2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid

C12H17NO3S — CID 119163804

IUPAC2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid
SMILESCC1CN(C(C)C(=O)O)CC(c2ccsc2)O1
InChIInChI=1S/C12H17NO3S/c1-8-5-13(9(2)12(14)15)6-11(16-8)10-3-4-17-7-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,14,15)
InChIKeyAAOVAIFKTCUOJY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid

2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid (PubChem CID 119163804) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid
PubChem CID119163804
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid
SMILESCC1CN(C(C)C(=O)O)CC(c2ccsc2)O1
InChIInChI=1S/C12H17NO3S/c1-8-5-13(9(2)12(14)15)6-11(16-8)10-3-4-17-7-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,14,15)
InChIKeyAAOVAIFKTCUOJY-UHFFFAOYSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid (CID 119163804) is 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid is CC1CN(C(C)C(=O)O)CC(c2ccsc2)O1.
What is the InChIKey of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid?
The InChIKey is AAOVAIFKTCUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8-5-13(9(2)12(14)15)6-11(16-8)10-3-4-17-7-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid?
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid has a molecular weight of 255.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 119163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).