2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid

C10H13N3O6 — CID 43353579

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O6/c1-5(14)9(10(18)19)11-7(16)4-13-8(17)3-2-6(15)12-13/h2-3,5,9,14H,4H2,1H3,(H,11,16)(H,12,15)(H,18,19)
InChIKeyGLHBCVTVWZCQJT-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.51
Rot. Bonds5

About 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 43353579) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID43353579
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O6/c1-5(14)9(10(18)19)11-7(16)4-13-8(17)3-2-6(15)12-13/h2-3,5,9,14H,4H2,1H3,(H,11,16)(H,12,15)(H,18,19)
InChIKeyGLHBCVTVWZCQJT-UHFFFAOYSA-N
XLogP-2.51
TPSA141.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid
CID 60830974
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 107363290
tert-butyl (2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
CID 80999893
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 95158173
3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
3-hydroxy-2-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 43235600
N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 43376201
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
CID 3750355
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
(2S,3R)-3-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 104964864

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid (CID 43353579) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is GLHBCVTVWZCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-5(14)9(10(18)19)11-7(16)4-13-8(17)3-2-6(15)12-13/h2-3,5,9,14H,4H2,1H3,(H,11,16)(H,12,15)(H,18,19).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43353579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).