(2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid

C7H11NO2 — CID 22885566

IUPAC(2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESCC1=CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-5-2-3-8-6(4-5)7(9)10/h2,6,8H,3-4H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyPURROTLFEQGJIP-ZCFIWIBFSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds1

About (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid

(2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid (PubChem CID 22885566) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
PubChem CID22885566
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESCC1=CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-5-2-3-8-6(4-5)7(9)10/h2,6,8H,3-4H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyPURROTLFEQGJIP-ZCFIWIBFSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid (CID 22885566) is (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid is CC1=CCN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The InChIKey is PURROTLFEQGJIP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-2-3-8-6(4-5)7(9)10/h2,6,8H,3-4H2,1H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
(2R)-4-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)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 22885566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).