(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

C11H13NO2 — CID 95566944

IUPAC(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESC[C@@H]1C[C@@H](C(=O)O)c2ccccc2N1
InChIInChI=1S/C11H13NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-5,7,9,12H,6H2,1H3,(H,13,14)/t7-,9-/m1/s1
InChIKeyMMQKHHBIFYTAAN-VXNVDRBHSA-N
MW191.23 g/mol
LogP2.06
Rot. Bonds1

About (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 95566944) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID95566944
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESC[C@@H]1C[C@@H](C(=O)O)c2ccccc2N1
InChIInChI=1S/C11H13NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-5,7,9,12H,6H2,1H3,(H,13,14)/t7-,9-/m1/s1
InChIKeyMMQKHHBIFYTAAN-VXNVDRBHSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid with MolForge

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Related Compounds

(2S,4S)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 99981851
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 104967543
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
N,2-dimethyl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43271515
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 83120583
(2,6-dimethylmorpholin-4-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 24707939
2-methyl-N-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43310647
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687227

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 95566944) is (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is C[C@@H]1C[C@@H](C(=O)O)c2ccccc2N1.
What is the InChIKey of (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is MMQKHHBIFYTAAN-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-5,7,9,12H,6H2,1H3,(H,13,14)/t7-,9-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 95566944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).