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

C10H13N3O6 — CID 43407115

IUPACmethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O6/c1-19-10(18)6(5-14)11-8(16)4-13-9(17)3-2-7(15)12-13/h2-3,6,14H,4-5H2,1H3,(H,11,16)(H,12,15)
InChIKeyZZQDUBRMNPQWHD-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.81
Rot. Bonds5

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

methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate (PubChem CID 43407115) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
PubChem CID43407115
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O6/c1-19-10(18)6(5-14)11-8(16)4-13-9(17)3-2-7(15)12-13/h2-3,6,14H,4-5H2,1H3,(H,11,16)(H,12,15)
InChIKeyZZQDUBRMNPQWHD-UHFFFAOYSA-N
XLogP-2.81
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate
CID 156867911
Methyl 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoate
CID 166760819
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
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]acetate
CID 43404707
methyl 2-[[(E)-but-2-enoyl]amino]-3-hydroxypropanoate
CID 43407039
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
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43501076
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
CID 60637958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate (CID 43407115) is methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate?
The InChIKey is ZZQDUBRMNPQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-19-10(18)6(5-14)11-8(16)4-13-9(17)3-2-7(15)12-13/h2-3,6,14H,4-5H2,1H3,(H,11,16)(H,12,15).
What are the key properties of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate?
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate has a molecular weight of 271.23 g/mol, XLogP of -2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 43407115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).