(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate

C12H20N2O5 — CID 139347516

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
SMILESCC(C)OCC(C)(C)NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H20N2O5/c1-8(2)18-7-12(3,4)13-11(17)19-14-9(15)5-6-10(14)16/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyAYBJKHQWDJNBKG-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.98
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate

(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate (PubChem CID 139347516) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
PubChem CID139347516
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
SMILESCC(C)OCC(C)(C)NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H20N2O5/c1-8(2)18-7-12(3,4)13-11(17)19-14-9(15)5-6-10(14)16/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyAYBJKHQWDJNBKG-UHFFFAOYSA-N
XLogP0.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
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) 3-propan-2-yloxypropanoate
CID 121263313
[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 146227382
(2,5-dioxopyrrolidin-1-yl) 3-[1-[(2-methyl-4-propan-2-yloxybutan-2-yl)carbamoyloxy]hexan-3-yldisulfanyl]hexyl carbonate
CID 166931257
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
CID 129106442
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate
CID 21030159
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione
CID 167320209
1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate
CID 126611155
(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-4-oxobutan-2-yl]oxy-2-methylbutan-2-yl]oxy-3-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypropoxy]-3-methylbutoxy]-3-methylbutanoate
CID 121265065
(2,5-dioxopyrrolidin-1-yl) 4-[1,3-bis(methylcarbamoyloxy)propan-2-yloxy]-2-methylbutanoate
CID 88925927

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate (CID 139347516) is (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate is CC(C)OCC(C)(C)NC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate?
The InChIKey is AYBJKHQWDJNBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(2)18-7-12(3,4)13-11(17)19-14-9(15)5-6-10(14)16/h8H,5-7H2,1-4H3,(H,13,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate has a molecular weight of 272.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate is sourced from PubChem (CID 139347516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).