2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

C11H13NO2 — CID 16792624

IUPAC2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESCC1Nc2ccccc2CC1C(=O)O
InChIInChI=1S/C11H13NO2/c1-7-9(11(13)14)6-8-4-2-3-5-10(8)12-7/h2-5,7,9,12H,6H2,1H3,(H,13,14)
InChIKeyYKJNTWJXPPPFKV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 16792624) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID16792624
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESCC1Nc2ccccc2CC1C(=O)O
InChIInChI=1S/C11H13NO2/c1-7-9(11(13)14)6-8-4-2-3-5-10(8)12-7/h2-5,7,9,12H,6H2,1H3,(H,13,14)
InChIKeyYKJNTWJXPPPFKV-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 16792624) is 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is CC1Nc2ccccc2CC1C(=O)O.
What is the InChIKey of 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is YKJNTWJXPPPFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-9(11(13)14)6-8-4-2-3-5-10(8)12-7/h2-5,7,9,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 16792624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).