2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid

C15H18N2O4 — CID 16645408

IUPAC2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESCCN(CC)CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-3-16(4-2)7-8-17-13(18)11-6-5-10(15(20)21)9-12(11)14(17)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyFTRRQCMCTZFMMN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.32
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid

2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 16645408) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID16645408
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESCCN(CC)CCN1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-3-16(4-2)7-8-17-13(18)11-6-5-10(15(20)21)9-12(11)14(17)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyFTRRQCMCTZFMMN-UHFFFAOYSA-N
XLogP1.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid (CID 16645408) is 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid is CCN(CC)CCN1C(=O)c2ccc(C(=O)O)cc2C1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is FTRRQCMCTZFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-16(4-2)7-8-17-13(18)11-6-5-10(15(20)21)9-12(11)14(17)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid?
2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 16645408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).