(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate

C17H19N3O5 — CID 58732095

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate
SMILESO=C(Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1)NC1CCCC1
InChIInChI=1S/C17H19N3O5/c21-14-9-10-15(22)20(14)25-16(23)11-5-7-13(8-6-11)19-17(24)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H2,18,19,24)
InChIKeyWGHZODVEMHVQQC-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.97
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate

(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate (PubChem CID 58732095) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate
PubChem CID58732095
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate
SMILESO=C(Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1)NC1CCCC1
InChIInChI=1S/C17H19N3O5/c21-14-9-10-15(22)20(14)25-16(23)11-5-7-13(8-6-11)19-17(24)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H2,18,19,24)
InChIKeyWGHZODVEMHVQQC-UHFFFAOYSA-N
XLogP1.97
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.97
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

4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 12023731
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
methyl 4-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]benzoate
CID 42393817
methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate (CID 58732095) is (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate is O=C(Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1)NC1CCCC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate?
The InChIKey is WGHZODVEMHVQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-14-9-10-15(22)20(14)25-16(23)11-5-7-13(8-6-11)19-17(24)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H2,18,19,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate?
(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylcarbamoylamino)benzoate has a molecular weight of 345.36 g/mol, XLogP of 1.97, 4 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) 4-(cyclopentylcarbamoylamino)benzoate is sourced from PubChem (CID 58732095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).