2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid

C18H20N4O4 — CID 166168890

IUPAC2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CN(CC(=O)O)C3)cc21
InChIInChI=1S/C18H20N4O4/c1-21-14-6-10(11-7-22(8-11)9-16(24)25)2-3-12(14)17(20-21)13-4-5-15(23)19-18(13)26/h2-3,6,11,13H,4-5,7-9H2,1H3,(H,24,25)(H,19,23,26)
InChIKeyRXAJURSTWWXHGM-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.58
Rot. Bonds4

About 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid

2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid (PubChem CID 166168890) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
PubChem CID166168890
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CN(CC(=O)O)C3)cc21
InChIInChI=1S/C18H20N4O4/c1-21-14-6-10(11-7-22(8-11)9-16(24)25)2-3-12(14)17(20-21)13-4-5-15(23)19-18(13)26/h2-3,6,11,13H,4-5,7-9H2,1H3,(H,24,25)(H,19,23,26)
InChIKeyRXAJURSTWWXHGM-UHFFFAOYSA-N
XLogP0.58
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid (CID 166168890) is 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid is Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CN(CC(=O)O)C3)cc21.
What is the InChIKey of 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid?
The InChIKey is RXAJURSTWWXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21-14-6-10(11-7-22(8-11)9-16(24)25)2-3-12(14)17(20-21)13-4-5-15(23)19-18(13)26/h2-3,6,11,13H,4-5,7-9H2,1H3,(H,24,25)(H,19,23,26).
What are the key properties of 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid?
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 166168890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).