(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid

C7H11NO2 — CID 102229940

IUPAC(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESC[C@H]1C=CC[C@H](C(=O)O)N1
InChIInChI=1S/C7H11NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-3,5-6,8H,4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyFFNBVSPZVGZLHV-NTSWFWBYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds1

About (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid

(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid (PubChem CID 102229940) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
PubChem CID102229940
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESC[C@H]1C=CC[C@H](C(=O)O)N1
InChIInChI=1S/C7H11NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-3,5-6,8H,4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyFFNBVSPZVGZLHV-NTSWFWBYSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1,2,3,6-tetrahydropyridin-2-ol
CID 5256089
ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 153336559
(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
(1S,2R,6R)-6-(carboxyamino)-2-methylcyclohex-3-ene-1-carboxylic acid
CID 130252868
(1S,2S,3R)-3-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 98091255
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
CID 15233514
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 68644523
(4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 118312111
4-methylazetidine-2-carboxylic acid;1,4-xylene
CID 175179759

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid (CID 102229940) is (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid is C[C@H]1C=CC[C@H](C(=O)O)N1.
What is the InChIKey of (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The InChIKey is FFNBVSPZVGZLHV-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-3,5-6,8H,4H2,1H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 102229940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).