(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid

C17H14N2O3S — CID 97337209

IUPAC(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cccs1
InChIInChI=1S/C17H14N2O3S/c20-16(21)10-14(15-4-2-8-23-15)19-17(22)12-5-6-13-11(9-12)3-1-7-18-13/h1-9,14H,10H2,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyFFSJKLJLGJBZIA-CQSZACIVSA-N
MW326.38 g/mol
LogP3.24
Rot. Bonds5

About (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid

(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid (PubChem CID 97337209) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid
PubChem CID97337209
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cccs1
InChIInChI=1S/C17H14N2O3S/c20-16(21)10-14(15-4-2-8-23-15)19-17(22)12-5-6-13-11(9-12)3-1-7-18-13/h1-9,14H,10H2,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyFFSJKLJLGJBZIA-CQSZACIVSA-N
XLogP3.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid (CID 97337209) is (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid is O=C(O)C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cccs1.
What is the InChIKey of (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The InChIKey is FFSJKLJLGJBZIA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16(21)10-14(15-4-2-8-23-15)19-17(22)12-5-6-13-11(9-12)3-1-7-18-13/h1-9,14H,10H2,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid?
(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid has a molecular weight of 326.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 97337209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).