5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid

C15H18N2O4 — CID 63106874

IUPAC5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid
SMILESCN1C(=O)Cc2ccc(C(N)CCCC(=O)O)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-17-13(18)8-9-5-6-10(7-11(9)15(17)21)12(16)3-2-4-14(19)20/h5-7,12H,2-4,8,16H2,1H3,(H,19,20)
InChIKeyLFFXNKYQKLIIFJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds5

About 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid

5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid (PubChem CID 63106874) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid
PubChem CID63106874
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid
SMILESCN1C(=O)Cc2ccc(C(N)CCCC(=O)O)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-17-13(18)8-9-5-6-10(7-11(9)15(17)21)12(16)3-2-4-14(19)20/h5-7,12H,2-4,8,16H2,1H3,(H,19,20)
InChIKeyLFFXNKYQKLIIFJ-UHFFFAOYSA-N
XLogP1.10
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-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-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid?
The IUPAC name of 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid (CID 63106874) is 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid is CN1C(=O)Cc2ccc(C(N)CCCC(=O)O)cc2C1=O.
What is the InChIKey of 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid?
The InChIKey is LFFXNKYQKLIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17-13(18)8-9-5-6-10(7-11(9)15(17)21)12(16)3-2-4-14(19)20/h5-7,12H,2-4,8,16H2,1H3,(H,19,20).
What are the key properties of 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid?
5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-methyl-1,3-dioxo-4H-isoquinolin-7-yl)pentanoic acid is sourced from PubChem (CID 63106874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).