(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

C16H18N2O6 — CID 15817683

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O6/c1-16(2,3)23-15(22)17-11-7-5-4-6-10(11)14(21)24-18-12(19)8-9-13(18)20/h4-7H,8-9H2,1-3H3,(H,17,22)
InChIKeyKSDQPRLBMSOFRZ-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.25
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (PubChem CID 15817683) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
PubChem CID15817683
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O6/c1-16(2,3)23-15(22)17-11-7-5-4-6-10(11)14(21)24-18-12(19)8-9-13(18)20/h4-7H,8-9H2,1-3H3,(H,17,22)
InChIKeyKSDQPRLBMSOFRZ-UHFFFAOYSA-N
XLogP2.25
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 139318372
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]benzoate
CID 167361533
(2,5-dioxopyrrolidin-1-yl) 2-ethoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 167361364
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
CID 71383197
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrazolidine-1-carboxylate
CID 18694366
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopyrrol-1-yl]propanoate
CID 175183674
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
tert-butyl N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]carbamate
CID 162401948
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate
CID 166873105

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (CID 15817683) is (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is CC(C)(C)OC(=O)Nc1ccccc1C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The InChIKey is KSDQPRLBMSOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-16(2,3)23-15(22)17-11-7-5-4-6-10(11)14(21)24-18-12(19)8-9-13(18)20/h4-7H,8-9H2,1-3H3,(H,17,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate has a molecular weight of 334.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is sourced from PubChem (CID 15817683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).