2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid

C15H15NO6 — CID 170585784

IUPAC2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1C(=O)O
InChIInChI=1S/C15H15NO6/c17-12-6-7-13(18)16(12)10-5-4-9(2-1-3-14(19)20)11(8-10)15(21)22/h4-5,8H,1-3,6-7H2,(H,19,20)(H,21,22)
InChIKeyPZZLBMFQBSCEJH-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.45
Rot. Bonds6

About 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid

2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid (PubChem CID 170585784) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
PubChem CID170585784
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1C(=O)O
InChIInChI=1S/C15H15NO6/c17-12-6-7-13(18)16(12)10-5-4-9(2-1-3-14(19)20)11(8-10)15(21)22/h4-5,8H,1-3,6-7H2,(H,19,20)(H,21,22)
InChIKeyPZZLBMFQBSCEJH-UHFFFAOYSA-N
XLogP1.45
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid (CID 170585784) is 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid is O=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1C(=O)O.
What is the InChIKey of 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid?
The InChIKey is PZZLBMFQBSCEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c17-12-6-7-13(18)16(12)10-5-4-9(2-1-3-14(19)20)11(8-10)15(21)22/h4-5,8H,1-3,6-7H2,(H,19,20)(H,21,22).
What are the key properties of 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid?
2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid has a molecular weight of 305.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 170585784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).