(2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid

C8H11NO4 — CID 69349021

IUPAC(2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESC[C@@H]1CC(C(=O)O)=CCN1C(=O)O
InChIInChI=1S/C8H11NO4/c1-5-4-6(7(10)11)2-3-9(5)8(12)13/h2,5H,3-4H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyCXTWQVQPESSYIE-RXMQYKEDSA-N
MW185.18 g/mol
LogP0.77
Rot. Bonds1

About (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid

(2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (PubChem CID 69349021) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
PubChem CID69349021
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESC[C@@H]1CC(C(=O)O)=CCN1C(=O)O
InChIInChI=1S/C8H11NO4/c1-5-4-6(7(10)11)2-3-9(5)8(12)13/h2,5H,3-4H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyCXTWQVQPESSYIE-RXMQYKEDSA-N
XLogP0.77
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The IUPAC name of (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (CID 69349021) is (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is C[C@@H]1CC(C(=O)O)=CCN1C(=O)O.
What is the InChIKey of (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The InChIKey is CXTWQVQPESSYIE-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5-4-6(7(10)11)2-3-9(5)8(12)13/h2,5H,3-4H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
(2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is sourced from PubChem (CID 69349021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).