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

C13H17NO4S — CID 112602093

IUPAC5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC(C)OCC(=O)N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-8(2)18-7-11(15)14-5-3-10-9(4-6-19-10)12(14)13(16)17/h4,6,8,12H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyGEUGJTLYBKCCEQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.68
Rot. Bonds4

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

5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 112602093) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID112602093
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC(C)OCC(=O)N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-8(2)18-7-11(15)14-5-3-10-9(4-6-19-10)12(14)13(16)17/h4,6,8,12H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyGEUGJTLYBKCCEQ-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propan-2-yloxyacetyl)-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-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103018511
5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65228403
5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072210
methyl 5-[2-(4-ethoxyphenoxy)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565326
5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62627341
5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072315
5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363
5-hexan-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114079827
5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103536135
methyl 5-(2-pyridin-3-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565196
5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62339629

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 112602093) is 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CC(C)OCC(=O)N1CCc2sccc2C1C(=O)O.
What is the InChIKey of 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is GEUGJTLYBKCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-8(2)18-7-11(15)14-5-3-10-9(4-6-19-10)12(14)13(16)17/h4,6,8,12H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(2-propan-2-yloxyacetyl)-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, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 112602093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).