(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)

C35H52N10O16 — CID 159685030

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)
SMILESCNC(=O)ON1C(=O)CCC1=O.CNC(=O)ON1C(=O)CCC1=O.CNC1CCCC1NC(=O)ON1C(=O)CCC1=O.CNC1CCCCC1NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19N3O4.C11H17N3O4.2C6H8N2O4/c1-13-8-4-2-3-5-9(8)14-12(18)19-15-10(16)6-7-11(15)17;1-12-7-3-2-4-8(7)13-11(17)18-14-9(15)5-6-10(14)16;2*1-7-6(11)12-8-4(9)2-3-5(8)10/h8-9,13H,2-7H2,1H3,(H,14,18);7-8,12H,2-6H2,1H3,(H,13,17);2*2-3H2,1H3,(H,7,11)
InChIKeyMVRHQTBMIZLVFU-UHFFFAOYSA-N
MW868.85 g/mol
LogP-0.96
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)

(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate) (PubChem CID 159685030) has the molecular formula C35H52N10O16 and a molecular weight of 868.85 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate).

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)
PubChem CID159685030
Molecular FormulaC35H52N10O16
Molecular Weight868.85 g/mol
Exact Mass868.36
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)
SMILESCNC(=O)ON1C(=O)CCC1=O.CNC(=O)ON1C(=O)CCC1=O.CNC1CCCC1NC(=O)ON1C(=O)CCC1=O.CNC1CCCCC1NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19N3O4.C11H17N3O4.2C6H8N2O4/c1-13-8-4-2-3-5-9(8)14-12(18)19-15-10(16)6-7-11(15)17;1-12-7-3-2-4-8(7)13-11(17)18-14-9(15)5-6-10(14)16;2*1-7-6(11)12-8-4(9)2-3-5(8)10/h8-9,13H,2-7H2,1H3,(H,14,18);7-8,12H,2-6H2,1H3,(H,13,17);2*2-3H2,1H3,(H,7,11)
InChIKeyMVRHQTBMIZLVFU-UHFFFAOYSA-N
XLogP-0.96
TPSA326.90 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.85
LogP ≤ 5-0.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate) with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate
CID 167430486
(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
CID 21030166
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate
CID 22958834
(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate;ethane;phenanthrene
CID 161315751
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate
CID 72527724
(2,5-dioxopyrrolidin-1-yl) N-[(4S)-7-oxoazepan-4-yl]carbamate
CID 59142752
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
CID 71020449
4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] 1-O-(methylcarbamoyloxymethyl) butanedioate
CID 118982470

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate) (CID 159685030) is (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate).
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate) is CNC(=O)ON1C(=O)CCC1=O.CNC(=O)ON1C(=O)CCC1=O.CNC1CCCC1NC(=O)ON1C(=O)CCC1=O.CNC1CCCCC1NC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)?
The InChIKey is MVRHQTBMIZLVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4.C11H17N3O4.2C6H8N2O4/c1-13-8-4-2-3-5-9(8)14-12(18)19-15-10(16)6-7-11(15)17;1-12-7-3-2-4-8(7)13-11(17)18-14-9(15)5-6-10(14)16;2*1-7-6(11)12-8-4(9)2-3-5(8)10/h8-9,13H,2-7H2,1H3,(H,14,18);7-8,12H,2-6H2,1H3,(H,13,17);2*2-3H2,1H3,(H,7,11).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)?
(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate) has a molecular weight of 868.85 g/mol, XLogP of -0.96, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate) is sourced from PubChem (CID 159685030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).