(3R)-2,3-dihydropyridine-3,5-dicarboxylic acid

C7H7NO4 — CID 68751991

IUPAC(3R)-2,3-dihydropyridine-3,5-dicarboxylic acid
SMILESO=C(O)C1=C[C@@H](C(=O)O)CN=C1
InChIInChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,5H,3H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyQTODKCBHAPRUDF-RXMQYKEDSA-N
MW169.14 g/mol
LogP-0.22
Rot. Bonds2

About (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid

(3R)-2,3-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 68751991) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name(3R)-2,3-dihydropyridine-3,5-dicarboxylic acid
PubChem CID68751991
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name(3R)-2,3-dihydropyridine-3,5-dicarboxylic acid
SMILESO=C(O)C1=C[C@@H](C(=O)O)CN=C1
InChIInChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,5H,3H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyQTODKCBHAPRUDF-RXMQYKEDSA-N
XLogP-0.22
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid (CID 68751991) is (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid is O=C(O)C1=C[C@@H](C(=O)O)CN=C1.
What is the InChIKey of (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is QTODKCBHAPRUDF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,5H,3H2,(H,9,10)(H,11,12)/t5-/m1/s1.
What are the key properties of (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid?
(3R)-2,3-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 68751991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).