5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid

C10H13NO4S — CID 107937745

IUPAC5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid
SMILESCCCOCC(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO4S/c1-2-5-15-6-8(12)11-9-4-3-7(16-9)10(13)14/h3-4H,2,5-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyLCGXBEXECCUCOI-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.81
Rot. Bonds6

About 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid

5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid (PubChem CID 107937745) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid
PubChem CID107937745
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid
SMILESCCCOCC(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO4S/c1-2-5-15-6-8(12)11-9-4-3-7(16-9)10(13)14/h3-4H,2,5-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyLCGXBEXECCUCOI-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid (CID 107937745) is 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid is CCCOCC(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid?
The InChIKey is LCGXBEXECCUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-5-15-6-8(12)11-9-4-3-7(16-9)10(13)14/h3-4H,2,5-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid?
5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 107937745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).