2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid

C19H21NO3S — CID 141426986

IUPAC2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid
SMILESCC(Sc1ccc(-c2cccnc2OC2CCCC2)cc1)C(=O)O
InChIInChI=1S/C19H21NO3S/c1-13(19(21)22)24-16-10-8-14(9-11-16)17-7-4-12-20-18(17)23-15-5-2-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyCUOSWCLLTGWQRM-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid

2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid (PubChem CID 141426986) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid
PubChem CID141426986
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid
SMILESCC(Sc1ccc(-c2cccnc2OC2CCCC2)cc1)C(=O)O
InChIInChI=1S/C19H21NO3S/c1-13(19(21)22)24-16-10-8-14(9-11-16)17-7-4-12-20-18(17)23-15-5-2-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyCUOSWCLLTGWQRM-UHFFFAOYSA-N
XLogP4.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid?
The IUPAC name of 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid (CID 141426986) is 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid is CC(Sc1ccc(-c2cccnc2OC2CCCC2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid?
The InChIKey is CUOSWCLLTGWQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13(19(21)22)24-16-10-8-14(9-11-16)17-7-4-12-20-18(17)23-15-5-2-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,21,22).
What are the key properties of 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid?
2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid has a molecular weight of 343.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid is sourced from PubChem (CID 141426986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).