3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid

C15H21NO4S — CID 23325634

IUPAC3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid
SMILESCC(C)(C(=O)c1cc(CCC(=O)O)cs1)N1CCOCC1
InChIInChI=1S/C15H21NO4S/c1-15(2,16-5-7-20-8-6-16)14(19)12-9-11(10-21-12)3-4-13(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyFZOLEXFMFKRKDI-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.06
Rot. Bonds6

About 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid

3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid (PubChem CID 23325634) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid
PubChem CID23325634
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid
SMILESCC(C)(C(=O)c1cc(CCC(=O)O)cs1)N1CCOCC1
InChIInChI=1S/C15H21NO4S/c1-15(2,16-5-7-20-8-6-16)14(19)12-9-11(10-21-12)3-4-13(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyFZOLEXFMFKRKDI-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid?
The IUPAC name of 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid (CID 23325634) is 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid is CC(C)(C(=O)c1cc(CCC(=O)O)cs1)N1CCOCC1.
What is the InChIKey of 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid?
The InChIKey is FZOLEXFMFKRKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-15(2,16-5-7-20-8-6-16)14(19)12-9-11(10-21-12)3-4-13(17)18/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid?
3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-2-morpholin-4-ylpropanoyl)thiophen-3-yl]propanoic acid is sourced from PubChem (CID 23325634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).