4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid

C16H21NO3S — CID 65302368

IUPAC4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N1CCc2sccc2C1C1CC1)C(=O)O
InChIInChI=1S/C16H21NO3S/c1-16(2,15(19)20)9-13(18)17-7-5-12-11(6-8-21-12)14(17)10-3-4-10/h6,8,10,14H,3-5,7,9H2,1-2H3,(H,19,20)
InChIKeyUNSGJLWYMAVSBU-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.08
Rot. Bonds4

About 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid

4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302368) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302368
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N1CCc2sccc2C1C1CC1)C(=O)O
InChIInChI=1S/C16H21NO3S/c1-16(2,15(19)20)9-13(18)17-7-5-12-11(6-8-21-12)14(17)10-3-4-10/h6,8,10,14H,3-5,7,9H2,1-2H3,(H,19,20)
InChIKeyUNSGJLWYMAVSBU-UHFFFAOYSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,3-dione
CID 54876687
(1-aminocyclopropyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65465100
4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid
CID 64889497
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-piperidin-4-ylmethanone
CID 60938600
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 60676493
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62788767
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
(3-amino-2-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 104741566
(5-bromo-2-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62952883
5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 115949250
(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone
CID 101064485

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid (CID 65302368) is 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)N1CCc2sccc2C1C1CC1)C(=O)O.
What is the InChIKey of 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is UNSGJLWYMAVSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-16(2,15(19)20)9-13(18)17-7-5-12-11(6-8-21-12)14(17)10-3-4-10/h6,8,10,14H,3-5,7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid?
4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 307.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).