2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid

C11H13NO3 — CID 112715993

IUPAC2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid
SMILESCC1Cc2ccncc2C1(O)CC(=O)O
InChIInChI=1S/C11H13NO3/c1-7-4-8-2-3-12-6-9(8)11(7,15)5-10(13)14/h2-3,6-7,15H,4-5H2,1H3,(H,13,14)
InChIKeyZYVVTZDRESPBOM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.94
Rot. Bonds2

About 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid

2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid (PubChem CID 112715993) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid
PubChem CID112715993
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid
SMILESCC1Cc2ccncc2C1(O)CC(=O)O
InChIInChI=1S/C11H13NO3/c1-7-4-8-2-3-12-6-9(8)11(7,15)5-10(13)14/h2-3,6-7,15H,4-5H2,1H3,(H,13,14)
InChIKeyZYVVTZDRESPBOM-UHFFFAOYSA-N
XLogP0.94
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid (CID 112715993) is 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid is CC1Cc2ccncc2C1(O)CC(=O)O.
What is the InChIKey of 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid?
The InChIKey is ZYVVTZDRESPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-8-2-3-12-6-9(8)11(7,15)5-10(13)14/h2-3,6-7,15H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid?
2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-yl)acetic acid is sourced from PubChem (CID 112715993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).