2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid

C11H13NO3 — CID 105460131

IUPAC2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid
SMILESO=C(O)CC1CNc2cc(O)ccc2C1
InChIInChI=1S/C11H13NO3/c13-9-2-1-8-3-7(4-11(14)15)6-12-10(8)5-9/h1-2,5,7,12-13H,3-4,6H2,(H,14,15)
InChIKeyXIDXWELLDBHXJP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.45
Rot. Bonds2

About 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid

2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid (PubChem CID 105460131) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid
PubChem CID105460131
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid
SMILESO=C(O)CC1CNc2cc(O)ccc2C1
InChIInChI=1S/C11H13NO3/c13-9-2-1-8-3-7(4-11(14)15)6-12-10(8)5-9/h1-2,5,7,12-13H,3-4,6H2,(H,14,15)
InChIKeyXIDXWELLDBHXJP-UHFFFAOYSA-N
XLogP1.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid (CID 105460131) is 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid is O=C(O)CC1CNc2cc(O)ccc2C1.
What is the InChIKey of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid?
The InChIKey is XIDXWELLDBHXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-9-2-1-8-3-7(4-11(14)15)6-12-10(8)5-9/h1-2,5,7,12-13H,3-4,6H2,(H,14,15).
What are the key properties of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid?
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid is sourced from PubChem (CID 105460131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).