2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

C19H18N2O4 — CID 43827298

IUPAC2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
SMILESCc1ccccc1NC1CC(=O)N(c2ccc(CC(=O)O)cc2)C1=O
InChIInChI=1S/C19H18N2O4/c1-12-4-2-3-5-15(12)20-16-11-17(22)21(19(16)25)14-8-6-13(7-9-14)10-18(23)24/h2-9,16,20H,10-11H2,1H3,(H,23,24)
InChIKeySWHAMXQNRJZGJF-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid (PubChem CID 43827298) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
PubChem CID43827298
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
SMILESCc1ccccc1NC1CC(=O)N(c2ccc(CC(=O)O)cc2)C1=O
InChIInChI=1S/C19H18N2O4/c1-12-4-2-3-5-15(12)20-16-11-17(22)21(19(16)25)14-8-6-13(7-9-14)10-18(23)24/h2-9,16,20H,10-11H2,1H3,(H,23,24)
InChIKeySWHAMXQNRJZGJF-UHFFFAOYSA-N
XLogP2.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.37
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-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid (CID 43827298) is 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid is Cc1ccccc1NC1CC(=O)N(c2ccc(CC(=O)O)cc2)C1=O.
What is the InChIKey of 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
The InChIKey is SWHAMXQNRJZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-4-2-3-5-15(12)20-16-11-17(22)21(19(16)25)14-8-6-13(7-9-14)10-18(23)24/h2-9,16,20H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 43827298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).