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

C10H16N4O3 — CID 114394000

IUPAC2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid
SMILESCCN(C)c1cnn(CC(N)C(=O)O)c(=O)c1
InChIInChI=1S/C10H16N4O3/c1-3-13(2)7-4-9(15)14(12-5-7)6-8(11)10(16)17/h4-5,8H,3,6,11H2,1-2H3,(H,16,17)
InChIKeyLBAWYBAXGCBTFP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.89
Rot. Bonds5

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

2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid (PubChem CID 114394000) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid
PubChem CID114394000
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid
SMILESCCN(C)c1cnn(CC(N)C(=O)O)c(=O)c1
InChIInChI=1S/C10H16N4O3/c1-3-13(2)7-4-9(15)14(12-5-7)6-8(11)10(16)17/h4-5,8H,3,6,11H2,1-2H3,(H,16,17)
InChIKeyLBAWYBAXGCBTFP-UHFFFAOYSA-N
XLogP-0.89
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid (CID 114394000) is 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid is CCN(C)c1cnn(CC(N)C(=O)O)c(=O)c1.
What is the InChIKey of 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid?
The InChIKey is LBAWYBAXGCBTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-13(2)7-4-9(15)14(12-5-7)6-8(11)10(16)17/h4-5,8H,3,6,11H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid?
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid is sourced from PubChem (CID 114394000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).