2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid

C14H19NO4S — CID 119211284

IUPAC2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCc1ccc(CC(=O)N(CC(=O)O)C2CCOCC2)s1
InChIInChI=1S/C14H19NO4S/c1-10-2-3-12(20-10)8-13(16)15(9-14(17)18)11-4-6-19-7-5-11/h2-3,11H,4-9H2,1H3,(H,17,18)
InChIKeyADRFVTYMDTVYEV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.69
Rot. Bonds5

About 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid

2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 119211284) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid
PubChem CID119211284
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCc1ccc(CC(=O)N(CC(=O)O)C2CCOCC2)s1
InChIInChI=1S/C14H19NO4S/c1-10-2-3-12(20-10)8-13(16)15(9-14(17)18)11-4-6-19-7-5-11/h2-3,11H,4-9H2,1H3,(H,17,18)
InChIKeyADRFVTYMDTVYEV-UHFFFAOYSA-N
XLogP1.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid (CID 119211284) is 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid is Cc1ccc(CC(=O)N(CC(=O)O)C2CCOCC2)s1.
What is the InChIKey of 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is ADRFVTYMDTVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-2-3-12(20-10)8-13(16)15(9-14(17)18)11-4-6-19-7-5-11/h2-3,11H,4-9H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methylthiophen-2-yl)acetyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).