3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid

C14H20N2O3S — CID 81072300

IUPAC3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCc2sccc2C1)CC(=O)O
InChIInChI=1S/C14H20N2O3S/c1-2-10(7-13(17)18)8-15-14(19)16-5-3-12-11(9-16)4-6-20-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyJTDIMTQSLQCBTN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.32
Rot. Bonds5

About 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid

3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid (PubChem CID 81072300) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
PubChem CID81072300
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCc2sccc2C1)CC(=O)O
InChIInChI=1S/C14H20N2O3S/c1-2-10(7-13(17)18)8-15-14(19)16-5-3-12-11(9-16)4-6-20-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyJTDIMTQSLQCBTN-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid with MolForge

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Related Compounds

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 95152579
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 98718269
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)hexanoic acid
CID 107145271
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3-hydroxybutanoic acid
CID 61187266
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103927461
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86915991
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid (CID 81072300) is 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)N1CCc2sccc2C1)CC(=O)O.
What is the InChIKey of 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid?
The InChIKey is JTDIMTQSLQCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-10(7-13(17)18)8-15-14(19)16-5-3-12-11(9-16)4-6-20-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid?
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81072300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).