[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate

C18H25N3O8 — CID 146227382

IUPAC[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(CC1CC(=O)N(OC(=O)C(C)(C)C)C1=O)NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H25N3O8/c1-17(2,3)15(26)28-21-13(24)8-10(14(21)25)9-18(4,5)19-16(27)29-20-11(22)6-7-12(20)23/h10H,6-9H2,1-5H3,(H,19,27)
InChIKeySMCKCHBELRRZNJ-UHFFFAOYSA-N
MW411.41 g/mol
LogP0.82
Rot. Bonds5

About [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate

[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 146227382) has the molecular formula C18H25N3O8 and a molecular weight of 411.41 g/mol. Its IUPAC name is [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID146227382
Molecular FormulaC18H25N3O8
Molecular Weight411.41 g/mol
Exact Mass411.16
IUPAC Name[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(CC1CC(=O)N(OC(=O)C(C)(C)C)C1=O)NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H25N3O8/c1-17(2,3)15(26)28-21-13(24)8-10(14(21)25)9-18(4,5)19-16(27)29-20-11(22)6-7-12(20)23/h10H,6-9H2,1-5H3,(H,19,27)
InChIKeySMCKCHBELRRZNJ-UHFFFAOYSA-N
XLogP0.82
TPSA139.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
CID 139347516
1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 159060589
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxopyrrolidin-1-yl] acetate
CID 130186959
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
CID 129106442
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonyloxy]propanoate
CID 122671168
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 129142210
(2,5-dioxopyrrolidin-1-yl) (2R)-3-[[(2R)-3-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 99647968

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 146227382) is [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate is CC(C)(CC1CC(=O)N(OC(=O)C(C)(C)C)C1=O)NC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is SMCKCHBELRRZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O8/c1-17(2,3)15(26)28-21-13(24)8-10(14(21)25)9-18(4,5)19-16(27)29-20-11(22)6-7-12(20)23/h10H,6-9H2,1-5H3,(H,19,27).
What are the key properties of [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 411.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 146227382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).