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

C11H13NO3 — CID 105460129

IUPAC2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
SMILESO=C(O)CC1CCc2ccc(O)cc2N1
InChIInChI=1S/C11H13NO3/c13-9-4-2-7-1-3-8(5-11(14)15)12-10(7)6-9/h2,4,6,8,12-13H,1,3,5H2,(H,14,15)
InChIKeyJLJLSHUAUVJQFI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.59
Rot. Bonds2

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

2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid (PubChem CID 105460129) 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-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
PubChem CID105460129
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
SMILESO=C(O)CC1CCc2ccc(O)cc2N1
InChIInChI=1S/C11H13NO3/c13-9-4-2-7-1-3-8(5-11(14)15)12-10(7)6-9/h2,4,6,8,12-13H,1,3,5H2,(H,14,15)
InChIKeyJLJLSHUAUVJQFI-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)acetic acid
CID 23291044
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid
CID 105460131
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-[(2R)-8-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetic acid
CID 70078382
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
2-(methylaminomethyl)-1,2,3,4-tetrahydroquinolin-6-ol
CID 105446256
2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057296
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193469
2-[8-[(4-carbamimidoylbenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetic acid
CID 23291019
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
CID 86099294

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid (CID 105460129) is 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid is O=C(O)CC1CCc2ccc(O)cc2N1.
What is the InChIKey of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid?
The InChIKey is JLJLSHUAUVJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-9-4-2-7-1-3-8(5-11(14)15)12-10(7)6-9/h2,4,6,8,12-13H,1,3,5H2,(H,14,15).
What are the key properties of 2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid?
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.59, 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-2-yl)acetic acid is sourced from PubChem (CID 105460129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).