2-amino-4-pyridazin-4-ylbutanoic acid

C8H11N3O2 — CID 69404506

IUPAC2-amino-4-pyridazin-4-ylbutanoic acid
SMILESNC(CCc1ccnnc1)C(=O)O
InChIInChI=1S/C8H11N3O2/c9-7(8(12)13)2-1-6-3-4-10-11-5-6/h3-5,7H,1-2,9H2,(H,12,13)
InChIKeyJUKASKRPYDFOIR-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-4-pyridazin-4-ylbutanoic acid

2-amino-4-pyridazin-4-ylbutanoic acid (PubChem CID 69404506) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-4-pyridazin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-pyridazin-4-ylbutanoic acid
PubChem CID69404506
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-4-pyridazin-4-ylbutanoic acid
SMILESNC(CCc1ccnnc1)C(=O)O
InChIInChI=1S/C8H11N3O2/c9-7(8(12)13)2-1-6-3-4-10-11-5-6/h3-5,7H,1-2,9H2,(H,12,13)
InChIKeyJUKASKRPYDFOIR-UHFFFAOYSA-N
XLogP-0.18
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
2-amino-N-propan-2-yl-3-pyridazin-4-ylpropanamide
CID 165466186
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
2-amino-4-cyclohexa-1,5-dien-3-yn-1-ylbutanoic acid
CID 143549549
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 169025163
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
(2S)-2-amino-4-(2-sulfanylidenebenzimidazol-5-yl)butanoic acid
CID 91589633
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyridazin-4-ylbutanoic acid?
The IUPAC name of 2-amino-4-pyridazin-4-ylbutanoic acid (CID 69404506) is 2-amino-4-pyridazin-4-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-pyridazin-4-ylbutanoic acid?
The canonical SMILES for 2-amino-4-pyridazin-4-ylbutanoic acid is NC(CCc1ccnnc1)C(=O)O.
What is the InChIKey of 2-amino-4-pyridazin-4-ylbutanoic acid?
The InChIKey is JUKASKRPYDFOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7(8(12)13)2-1-6-3-4-10-11-5-6/h3-5,7H,1-2,9H2,(H,12,13).
What are the key properties of 2-amino-4-pyridazin-4-ylbutanoic acid?
2-amino-4-pyridazin-4-ylbutanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridazin-4-ylbutanoic acid is sourced from PubChem (CID 69404506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).