(3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid

C11H15N3O3 — CID 175514284

IUPAC(3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESCc1ccnn([C@@H]2CCCN(C(=O)O)C2)c1=O
InChIInChI=1S/C11H15N3O3/c1-8-4-5-12-14(10(8)15)9-3-2-6-13(7-9)11(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyCOKTVKPFYDTDEF-SECBINFHSA-N
MW237.26 g/mol
LogP0.87
Rot. Bonds1

About (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid

(3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 175514284) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
PubChem CID175514284
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESCc1ccnn([C@@H]2CCCN(C(=O)O)C2)c1=O
InChIInChI=1S/C11H15N3O3/c1-8-4-5-12-14(10(8)15)9-3-2-6-13(7-9)11(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyCOKTVKPFYDTDEF-SECBINFHSA-N
XLogP0.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (CID 175514284) is (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is Cc1ccnn([C@@H]2CCCN(C(=O)O)C2)c1=O.
What is the InChIKey of (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is COKTVKPFYDTDEF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-4-5-12-14(10(8)15)9-3-2-6-13(7-9)11(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
(3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175514284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).