2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid

C10H11N3O4 — CID 61018256

IUPAC2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2C(=O)CCCC2=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-2-1-3-9(15)13(8)7-4-11-12(5-7)6-10(16)17/h4-5H,1-3,6H2,(H,16,17)
InChIKeyMCPYFDOMNMTAQQ-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.01
Rot. Bonds3

About 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid

2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid (PubChem CID 61018256) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid
PubChem CID61018256
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2C(=O)CCCC2=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-2-1-3-9(15)13(8)7-4-11-12(5-7)6-10(16)17/h4-5H,1-3,6H2,(H,16,17)
InChIKeyMCPYFDOMNMTAQQ-UHFFFAOYSA-N
XLogP0.01
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid (CID 61018256) is 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(N2C(=O)CCCC2=O)cn1.
What is the InChIKey of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
The InChIKey is MCPYFDOMNMTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-2-1-3-9(15)13(8)7-4-11-12(5-7)6-10(16)17/h4-5H,1-3,6H2,(H,16,17).
What are the key properties of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).