2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate

C14H15N2O4- — CID 18762679

IUPAC2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate
SMILESO=C1CCC(NCCc2ccccc2C(=O)[O-])C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-12-6-5-11(13(18)16-12)15-8-7-9-3-1-2-4-10(9)14(19)20/h1-4,11,15H,5-8H2,(H,19,20)(H,16,17,18)/p-1
InChIKeyAJVGYTKDPSRZCO-UHFFFAOYSA-M
MW275.28 g/mol
LogP-1.01
Rot. Bonds5

About 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate

2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate (PubChem CID 18762679) has the molecular formula C14H15N2O4- and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate.

Molecular Properties

Compound Name2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate
PubChem CID18762679
Molecular FormulaC14H15N2O4-
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate
SMILESO=C1CCC(NCCc2ccccc2C(=O)[O-])C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-12-6-5-11(13(18)16-12)15-8-7-9-3-1-2-4-10(9)14(19)20/h1-4,11,15H,5-8H2,(H,19,20)(H,16,17,18)/p-1
InChIKeyAJVGYTKDPSRZCO-UHFFFAOYSA-M
XLogP-1.01
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
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-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate?
The IUPAC name of 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate (CID 18762679) is 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate.
What is the SMILES notation for 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate?
The canonical SMILES for 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate is O=C1CCC(NCCc2ccccc2C(=O)[O-])C(=O)N1.
What is the InChIKey of 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate?
The InChIKey is AJVGYTKDPSRZCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O4/c17-12-6-5-11(13(18)16-12)15-8-7-9-3-1-2-4-10(9)14(19)20/h1-4,11,15H,5-8H2,(H,19,20)(H,16,17,18)/p-1.
What are the key properties of 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate?
2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate has a molecular weight of 275.28 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dioxopiperidin-3-yl)amino]ethyl]benzoate is sourced from PubChem (CID 18762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).