2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid

C11H17N3O2 — CID 116971445

IUPAC2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(C(C)(C)C)nn1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(10(15)16)12-9-6-5-8(13-14-9)11(2,3)4/h5-7H,1-4H3,(H,12,14)(H,15,16)
InChIKeyITTOTOJMYUMBLZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.66
Rot. Bonds3

About 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid

2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid (PubChem CID 116971445) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
PubChem CID116971445
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(C(C)(C)C)nn1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(10(15)16)12-9-6-5-8(13-14-9)11(2,3)4/h5-7H,1-4H3,(H,12,14)(H,15,16)
InChIKeyITTOTOJMYUMBLZ-UHFFFAOYSA-N
XLogP1.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid (CID 116971445) is 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid is CC(Nc1ccc(C(C)(C)C)nn1)C(=O)O.
What is the InChIKey of 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid?
The InChIKey is ITTOTOJMYUMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(10(15)16)12-9-6-5-8(13-14-9)11(2,3)4/h5-7H,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid?
2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 116971445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).