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

C9H13NO4 — CID 69349844

IUPAC(2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESCC[C@@H]1CC(C(=O)O)=CCN1C(=O)O
InChIInChI=1S/C9H13NO4/c1-2-7-5-6(8(11)12)3-4-10(7)9(13)14/h3,7H,2,4-5H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyQPDQHUZPCJFXSI-SSDOTTSWSA-N
MW199.21 g/mol
LogP1.16
Rot. Bonds2

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

(2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (PubChem CID 69349844) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
PubChem CID69349844
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESCC[C@@H]1CC(C(=O)O)=CCN1C(=O)O
InChIInChI=1S/C9H13NO4/c1-2-7-5-6(8(11)12)3-4-10(7)9(13)14/h3,7H,2,4-5H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyQPDQHUZPCJFXSI-SSDOTTSWSA-N
XLogP1.16
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The IUPAC name of (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (CID 69349844) is (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is CC[C@@H]1CC(C(=O)O)=CCN1C(=O)O.
What is the InChIKey of (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The InChIKey is QPDQHUZPCJFXSI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-7-5-6(8(11)12)3-4-10(7)9(13)14/h3,7H,2,4-5H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
(2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is sourced from PubChem (CID 69349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).