5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C13H17NO4S — CID 103018511

IUPAC5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCOC(C)(C)C(=O)N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-13(2,18-3)12(17)14-6-4-9-8(5-7-19-9)10(14)11(15)16/h5,7,10H,4,6H2,1-3H3,(H,15,16)
InChIKeyLEPXCTZTJSSZAG-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.68
Rot. Bonds3

About 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 103018511) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID103018511
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCOC(C)(C)C(=O)N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-13(2,18-3)12(17)14-6-4-9-8(5-7-19-9)10(14)11(15)16/h5,7,10H,4,6H2,1-3H3,(H,15,16)
InChIKeyLEPXCTZTJSSZAG-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 115949250
5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 112602093
5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103536135
5-[(2R)-pyrrolidine-2-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 104901093
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65228403
2,2,2-trifluoroethyl 4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 65173549
5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62339629
5-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 106439237
5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 66127754
methyl 5-(4-fluorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565283
5-(3-methylpiperidine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 107068091

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 103018511) is 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is COC(C)(C)C(=O)N1CCc2sccc2C1C(=O)O.
What is the InChIKey of 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is LEPXCTZTJSSZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-13(2,18-3)12(17)14-6-4-9-8(5-7-19-9)10(14)11(15)16/h5,7,10H,4,6H2,1-3H3,(H,15,16).
What are the key properties of 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 103018511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).