5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid

C16H20N2O4 — CID 22612834

IUPAC5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid
SMILESCCCc1cccc2c1CN(C(CCC(N)=O)C(=O)O)C2=O
InChIInChI=1S/C16H20N2O4/c1-2-4-10-5-3-6-11-12(10)9-18(15(11)20)13(16(21)22)7-8-14(17)19/h3,5-6,13H,2,4,7-9H2,1H3,(H2,17,19)(H,21,22)
InChIKeyOIEVTZPMJUWNTI-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.31
Rot. Bonds7

About 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid

5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid (PubChem CID 22612834) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid
PubChem CID22612834
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid
SMILESCCCc1cccc2c1CN(C(CCC(N)=O)C(=O)O)C2=O
InChIInChI=1S/C16H20N2O4/c1-2-4-10-5-3-6-11-12(10)9-18(15(11)20)13(16(21)22)7-8-14(17)19/h3,5-6,13H,2,4,7-9H2,1H3,(H2,17,19)(H,21,22)
InChIKeyOIEVTZPMJUWNTI-UHFFFAOYSA-N
XLogP1.31
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic 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 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid (CID 22612834) is 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid is CCCc1cccc2c1CN(C(CCC(N)=O)C(=O)O)C2=O.
What is the InChIKey of 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid?
The InChIKey is OIEVTZPMJUWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-4-10-5-3-6-11-12(10)9-18(15(11)20)13(16(21)22)7-8-14(17)19/h3,5-6,13H,2,4,7-9H2,1H3,(H2,17,19)(H,21,22).
What are the key properties of 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid?
5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid is sourced from PubChem (CID 22612834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).