tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate

C23H30N4O8 — CID 155607021

IUPACtert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate
SMILESCC(C)(C)CN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C23H30N4O8/c1-22(2,3)14-27(20(33)12-25-17(30)9-10-18(25)31)26(13-21(34)35-23(4,5)6)19(32)11-24-15(28)7-8-16(24)29/h7-10H,11-14H2,1-6H3
InChIKeyHVEIHXHIQYWJQC-UHFFFAOYSA-N
MW490.51 g/mol
LogP-0.20
Rot. Bonds7

About tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate

tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate (PubChem CID 155607021) has the molecular formula C23H30N4O8 and a molecular weight of 490.51 g/mol. Its IUPAC name is tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate
PubChem CID155607021
Molecular FormulaC23H30N4O8
Molecular Weight490.51 g/mol
Exact Mass490.21
IUPAC Nametert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate
SMILESCC(C)(C)CN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C23H30N4O8/c1-22(2,3)14-27(20(33)12-25-17(30)9-10-18(25)31)26(13-21(34)35-23(4,5)6)19(32)11-24-15(28)7-8-16(24)29/h7-10H,11-14H2,1-6H3
InChIKeyHVEIHXHIQYWJQC-UHFFFAOYSA-N
XLogP-0.20
TPSA141.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate (CID 155607021) is tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate is CC(C)(C)CN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate?
The InChIKey is HVEIHXHIQYWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O8/c1-22(2,3)14-27(20(33)12-25-17(30)9-10-18(25)31)26(13-21(34)35-23(4,5)6)19(32)11-24-15(28)7-8-16(24)29/h7-10H,11-14H2,1-6H3.
What are the key properties of tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate?
tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate has a molecular weight of 490.51 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2,2-dimethylpropyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 155607021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).