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

C10H13N3O6 — CID 104964899

IUPAC(2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](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)/t5-,9+/m1/s1
InChIKeyGLHBCVTVWZCQJT-ANLVUFKYSA-N
MW271.23 g/mol
LogP-2.51
Rot. Bonds5

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

(2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 104964899) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID104964899
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name(2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](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)/t5-,9+/m1/s1
InChIKeyGLHBCVTVWZCQJT-ANLVUFKYSA-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 (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,5-Dioxopyrrol-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 154618540
(2S,3R)-2-[[(Z)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobut-2-enoyl]amino]-3-hydroxybutanoic acid
CID 178805872
2-[[(E)-but-2-enoyl]amino]-3-hydroxybutanoic acid
CID 24691147
(2S,3R)-2-[[(E)-but-2-enoyl]amino]-3-hydroxybutanoic acid
CID 28173254
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 43170362
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43172649
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 43353579
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357564
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 43407115
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43469221
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500440

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid (CID 104964899) is (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is GLHBCVTVWZCQJT-ANLVUFKYSA-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)/t5-,9+/m1/s1.
What are the key properties of (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid?
(2S,3R)-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 (2S,3R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104964899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).