2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid

C9H14N4O3 — CID 114393859

IUPAC2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
SMILESCN(C)c1cnn(CC(N)C(=O)O)c(=O)c1
InChIInChI=1S/C9H14N4O3/c1-12(2)6-3-8(14)13(11-4-6)5-7(10)9(15)16/h3-4,7H,5,10H2,1-2H3,(H,15,16)
InChIKeySRQNMDFVSQNLRP-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.28
Rot. Bonds4

About 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid

2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid (PubChem CID 114393859) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
PubChem CID114393859
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
SMILESCN(C)c1cnn(CC(N)C(=O)O)c(=O)c1
InChIInChI=1S/C9H14N4O3/c1-12(2)6-3-8(14)13(11-4-6)5-7(10)9(15)16/h3-4,7H,5,10H2,1-2H3,(H,15,16)
InChIKeySRQNMDFVSQNLRP-UHFFFAOYSA-N
XLogP-1.28
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-3-(6-oxopyridazin-1-yl)propanoic acid
CID 65444018
2-Amino-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548381
2-Amino-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 113579306
2-Acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
CID 113579316
2-Amino-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanoic acid
CID 113579329
2-Amino-3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid
CID 113579335
2-Amino-3-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
CID 113579348
2-Amino-3-[4-(diethylamino)-6-oxopyridazin-1-yl]propanamide
CID 113579351
2-Acetamido-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 114393818
3-[4-(Dimethylamino)-6-oxopyridazin-1-yl]propanoic acid
CID 114393843
2-Amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide
CID 114393870
Methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate
CID 114393876

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid (CID 114393859) is 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid is CN(C)c1cnn(CC(N)C(=O)O)c(=O)c1.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
The InChIKey is SRQNMDFVSQNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-12(2)6-3-8(14)13(11-4-6)5-7(10)9(15)16/h3-4,7H,5,10H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid?
2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid has a molecular weight of 226.24 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoic acid is sourced from PubChem (CID 114393859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).