2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid

C9H11N3O2 — CID 82239338

IUPAC2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
SMILESO=C(O)CN(c1cccnn1)C1CC1
InChIInChI=1S/C9H11N3O2/c13-9(14)6-12(7-3-4-7)8-2-1-5-10-11-8/h1-2,5,7H,3-4,6H2,(H,13,14)
InChIKeyUPYLEUQJEULJTM-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.53
Rot. Bonds4

About 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid

2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid (PubChem CID 82239338) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
PubChem CID82239338
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
SMILESO=C(O)CN(c1cccnn1)C1CC1
InChIInChI=1S/C9H11N3O2/c13-9(14)6-12(7-3-4-7)8-2-1-5-10-11-8/h1-2,5,7H,3-4,6H2,(H,13,14)
InChIKeyUPYLEUQJEULJTM-UHFFFAOYSA-N
XLogP0.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
2-[cyclopropyl-(6-methyl-2-pyridinyl)amino]acetic acid
CID 83833314
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83841041
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
2-[cyclopentyl(pyrazin-2-yl)amino]acetic acid
CID 60838829
amino(pyridazin-3-yl)carbamic acid
CID 174865734
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-[(6-carbamoyl-2-pyridinyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 64587954
2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131478
2-[cyclopropyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 60840026

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid (CID 82239338) is 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid is O=C(O)CN(c1cccnn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid?
The InChIKey is UPYLEUQJEULJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)6-12(7-3-4-7)8-2-1-5-10-11-8/h1-2,5,7H,3-4,6H2,(H,13,14).
What are the key properties of 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid?
2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid is sourced from PubChem (CID 82239338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).