(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate

C11H19N3O4 — CID 21030159

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate
SMILESCNC(CNC(=O)ON1C(=O)CCC1=O)C(C)C
InChIInChI=1S/C11H19N3O4/c1-7(2)8(12-3)6-13-11(17)18-14-9(15)4-5-10(14)16/h7-8,12H,4-6H2,1-3H3,(H,13,17)
InChIKeyQPEJRZQUCNVLLU-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.02
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate (PubChem CID 21030159) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate
PubChem CID21030159
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate
SMILESCNC(CNC(=O)ON1C(=O)CCC1=O)C(C)C
InChIInChI=1S/C11H19N3O4/c1-7(2)8(12-3)6-13-11(17)18-14-9(15)4-5-10(14)16/h7-8,12H,4-6H2,1-3H3,(H,13,17)
InChIKeyQPEJRZQUCNVLLU-UHFFFAOYSA-N
XLogP0.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4,4-dihydroxy-3-(methylamino)butanoate
CID 163583382
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
CID 139347516
(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate;ethane;phenanthrene
CID 161315751
(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate
CID 58840414
(2,5-dioxopyrrolidin-1-yl) 2-[[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 170201566
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
2-chloro-3-methylbutane;(2,5-dioxopyrrolidin-1-yl) 2-methylpropanoate
CID 158531615
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
CID 167723182
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate
CID 159077913

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate (CID 21030159) is (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate is CNC(CNC(=O)ON1C(=O)CCC1=O)C(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate?
The InChIKey is QPEJRZQUCNVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(2)8(12-3)6-13-11(17)18-14-9(15)4-5-10(14)16/h7-8,12H,4-6H2,1-3H3,(H,13,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate?
(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate is sourced from PubChem (CID 21030159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).