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

C13H17N3O4 — CID 139395242

IUPAC5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid
SMILESNc1cccc2c1CN(C(CCC(N)O)C(=O)O)C2=O
InChIInChI=1S/C13H17N3O4/c14-9-3-1-2-7-8(9)6-16(12(7)18)10(13(19)20)4-5-11(15)17/h1-3,10-11,17H,4-6,14-15H2,(H,19,20)
InChIKeyQWHVEXAUQWEEIL-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.26
Rot. Bonds5

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

5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid (PubChem CID 139395242) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid
PubChem CID139395242
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid
SMILESNc1cccc2c1CN(C(CCC(N)O)C(=O)O)C2=O
InChIInChI=1S/C13H17N3O4/c14-9-3-1-2-7-8(9)6-16(12(7)18)10(13(19)20)4-5-11(15)17/h1-3,10-11,17H,4-6,14-15H2,(H,19,20)
InChIKeyQWHVEXAUQWEEIL-UHFFFAOYSA-N
XLogP-0.26
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic 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-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid?
The IUPAC name of 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid (CID 139395242) is 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid.
What is the SMILES notation for 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid?
The canonical SMILES for 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid is Nc1cccc2c1CN(C(CCC(N)O)C(=O)O)C2=O.
What is the InChIKey of 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid?
The InChIKey is QWHVEXAUQWEEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-9-3-1-2-7-8(9)6-16(12(7)18)10(13(19)20)4-5-11(15)17/h1-3,10-11,17H,4-6,14-15H2,(H,19,20).
What are the key properties of 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid?
5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid has a molecular weight of 279.30 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxypentanoic acid is sourced from PubChem (CID 139395242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).