(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C12H18N2O6 — CID 22041739

IUPAC(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCN(CC(=O)OC1CC(=O)NC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O6/c1-12(2,3)20-11(18)14(4)6-9(16)19-7-5-8(15)13-10(7)17/h7H,5-6H2,1-4H3,(H,13,15,17)
InChIKeyYWFJGXGEPSIKLC-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.19
Rot. Bonds3

About (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 22041739) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID22041739
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCN(CC(=O)OC1CC(=O)NC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O6/c1-12(2,3)20-11(18)14(4)6-9(16)19-7-5-8(15)13-10(7)17/h7H,5-6H2,1-4H3,(H,13,15,17)
InChIKeyYWFJGXGEPSIKLC-UHFFFAOYSA-N
XLogP-0.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]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

Related Compounds

(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate
CID 21276654
(3S)-3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-[(3R)-2,5-dioxopyrrolidin-3-yl]oxy-4-oxobutanoic acid
CID 95048875
(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride
CID 88721873
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
CID 139903070
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
1-adamantyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 10947715
(2,5-dihydroxypyrrol-1-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 54227808
(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate
CID 68668735
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 22041739) is (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CN(CC(=O)OC1CC(=O)NC1=O)C(=O)OC(C)(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is YWFJGXGEPSIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-12(2,3)20-11(18)14(4)6-9(16)19-7-5-8(15)13-10(7)17/h7H,5-6H2,1-4H3,(H,13,15,17).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 286.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 22041739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).