tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

C18H28N2O6 — CID 12968599

IUPACtert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCN1C(=O)C=CC1=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O6/c1-17(2,3)25-15(23)11-19(12-16(24)26-18(4,5)6)9-10-20-13(21)7-8-14(20)22/h7-8H,9-12H2,1-6H3
InChIKeyBTBBUJWMZNKNEJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP0.90
Rot. Bonds7

About tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (PubChem CID 12968599) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
PubChem CID12968599
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Nametert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCN1C(=O)C=CC1=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O6/c1-17(2,3)25-15(23)11-19(12-16(24)26-18(4,5)6)9-10-20-13(21)7-8-14(20)22/h7-8H,9-12H2,1-6H3
InChIKeyBTBBUJWMZNKNEJ-UHFFFAOYSA-N
XLogP0.90
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (CID 12968599) is tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is CC(C)(C)OC(=O)CN(CCN1C(=O)C=CC1=O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The InChIKey is BTBBUJWMZNKNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-17(2,3)25-15(23)11-19(12-16(24)26-18(4,5)6)9-10-20-13(21)7-8-14(20)22/h7-8H,9-12H2,1-6H3.
What are the key properties of tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate has a molecular weight of 368.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 12968599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).