(3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid

C13H19N3O2 — CID 133139278

IUPAC(3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(N2C[C@H](C(=O)O)[C@@H](C(C)C)C2)nn1
InChIInChI=1S/C13H19N3O2/c1-8(2)10-6-16(7-11(10)13(17)18)12-5-4-9(3)14-15-12/h4-5,8,10-11H,6-7H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyNKVKCYWYDGZVDX-MNOVXSKESA-N
MW249.31 g/mol
LogP1.58
Rot. Bonds3

About (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 133139278) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID133139278
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(N2C[C@H](C(=O)O)[C@@H](C(C)C)C2)nn1
InChIInChI=1S/C13H19N3O2/c1-8(2)10-6-16(7-11(10)13(17)18)12-5-4-9(3)14-15-12/h4-5,8,10-11H,6-7H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyNKVKCYWYDGZVDX-MNOVXSKESA-N
XLogP1.58
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid (CID 133139278) is (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid is Cc1ccc(N2C[C@H](C(=O)O)[C@@H](C(C)C)C2)nn1.
What is the InChIKey of (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NKVKCYWYDGZVDX-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)10-6-16(7-11(10)13(17)18)12-5-4-9(3)14-15-12/h4-5,8,10-11H,6-7H2,1-3H3,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6-methylpyridazin-3-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133139278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).