2-(dimethylamino)-2-thiophen-2-ylpropanoic acid

C9H13NO2S — CID 54776076

IUPAC2-(dimethylamino)-2-thiophen-2-ylpropanoic acid
SMILESCN(C)C(C)(C(=O)O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-9(8(11)12,10(2)3)7-5-4-6-13-7/h4-6H,1-3H3,(H,11,12)
InChIKeyLEAWFCQKSZVTCC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.61
Rot. Bonds3

About 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid

2-(dimethylamino)-2-thiophen-2-ylpropanoic acid (PubChem CID 54776076) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-thiophen-2-ylpropanoic acid
PubChem CID54776076
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(dimethylamino)-2-thiophen-2-ylpropanoic acid
SMILESCN(C)C(C)(C(=O)O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-9(8(11)12,10(2)3)7-5-4-6-13-7/h4-6H,1-3H3,(H,11,12)
InChIKeyLEAWFCQKSZVTCC-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid (CID 54776076) is 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid is CN(C)C(C)(C(=O)O)c1cccs1.
What is the InChIKey of 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid?
The InChIKey is LEAWFCQKSZVTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(8(11)12,10(2)3)7-5-4-6-13-7/h4-6H,1-3H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid?
2-(dimethylamino)-2-thiophen-2-ylpropanoic acid has a molecular weight of 199.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 54776076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).