(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid

C17H16N2O3S — CID 166313865

IUPAC(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
SMILESO=C(c1ccc(-c2ccsc2)nc1)N1C[C@@H]2CC[C@]2(C(=O)O)C1
InChIInChI=1S/C17H16N2O3S/c20-15(19-8-13-3-5-17(13,10-19)16(21)22)11-1-2-14(18-7-11)12-4-6-23-9-12/h1-2,4,6-7,9,13H,3,5,8,10H2,(H,21,22)/t13-,17-/m0/s1
InChIKeyQUEVJNVSVGKRNZ-GUYCJALGSA-N
MW328.39 g/mol
LogP2.75
Rot. Bonds3

About (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid

(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid (PubChem CID 166313865) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
PubChem CID166313865
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
SMILESO=C(c1ccc(-c2ccsc2)nc1)N1C[C@@H]2CC[C@]2(C(=O)O)C1
InChIInChI=1S/C17H16N2O3S/c20-15(19-8-13-3-5-17(13,10-19)16(21)22)11-1-2-14(18-7-11)12-4-6-23-9-12/h1-2,4,6-7,9,13H,3,5,8,10H2,(H,21,22)/t13-,17-/m0/s1
InChIKeyQUEVJNVSVGKRNZ-GUYCJALGSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid with MolForge

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Related Compounds

piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233
(3aS,6aR)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683373
(3aS,7aS)-2-(2-thiophen-3-ylacetyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 154789923
(3aS,6aR)-2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683028
(3aR,6aR)-2-cyclohexyl-5-(6-methylpyridine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 86282900
(3aS,6aR)-2-(5-methylpyridine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682254
(3aS,6aR)-2-(pyridine-2-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682632
(3aS,8aS)-2-methyl-5-(thiophene-3-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124803374
(3aS,6aR)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680489
(3aS,6aR)-2-(1-phenylpyrazole-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683679
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661
(3aS,6aR)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683811

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid?
The IUPAC name of (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid (CID 166313865) is (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid.
What is the SMILES notation for (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid?
The canonical SMILES for (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid is O=C(c1ccc(-c2ccsc2)nc1)N1C[C@@H]2CC[C@]2(C(=O)O)C1.
What is the InChIKey of (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid?
The InChIKey is QUEVJNVSVGKRNZ-GUYCJALGSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-15(19-8-13-3-5-17(13,10-19)16(21)22)11-1-2-14(18-7-11)12-4-6-23-9-12/h1-2,4,6-7,9,13H,3,5,8,10H2,(H,21,22)/t13-,17-/m0/s1.
What are the key properties of (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid?
(1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(6-thiophen-3-ylpyridine-3-carbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid is sourced from PubChem (CID 166313865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).