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

C11H13N3O5 — CID 64604808

IUPAC2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C11H13N3O5/c15-8-1-2-9(16)14(12-8)6-10(17)13-4-7(5-13)3-11(18)19/h1-2,7H,3-6H2,(H,12,15)(H,18,19)
InChIKeyTYAMNUOGLUBDIL-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.53
Rot. Bonds4

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

2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid (PubChem CID 64604808) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid
PubChem CID64604808
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C11H13N3O5/c15-8-1-2-9(16)14(12-8)6-10(17)13-4-7(5-13)3-11(18)19/h1-2,7H,3-6H2,(H,12,15)(H,18,19)
InChIKeyTYAMNUOGLUBDIL-UHFFFAOYSA-N
XLogP-1.53
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43170711
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid
CID 43354127
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60826283
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030583
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146571
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719761
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidine-3-carboxylic acid
CID 64259271
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]butanoic acid
CID 65219849
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538617
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 81065037
3-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]pentanoic acid
CID 81065297

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid (CID 64604808) is 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is TYAMNUOGLUBDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-1-2-9(16)14(12-8)6-10(17)13-4-7(5-13)3-11(18)19/h1-2,7H,3-6H2,(H,12,15)(H,18,19).
What are the key properties of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).