2,2,5-triamino-4-oxopentanoic acid

C5H11N3O3 — CID 23088202

IUPAC2,2,5-triamino-4-oxopentanoic acid
SMILESNCC(=O)CC(N)(N)C(=O)O
InChIInChI=1S/C5H11N3O3/c6-2-3(9)1-5(7,8)4(10)11/h1-2,6-8H2,(H,10,11)
InChIKeyMMHJZINWMYSYMN-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.40
Rot. Bonds4

About 2,2,5-triamino-4-oxopentanoic acid

2,2,5-triamino-4-oxopentanoic acid (PubChem CID 23088202) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2,2,5-triamino-4-oxopentanoic acid.

Molecular Properties

Compound Name2,2,5-triamino-4-oxopentanoic acid
PubChem CID23088202
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2,2,5-triamino-4-oxopentanoic acid
SMILESNCC(=O)CC(N)(N)C(=O)O
InChIInChI=1S/C5H11N3O3/c6-2-3(9)1-5(7,8)4(10)11/h1-2,6-8H2,(H,10,11)
InChIKeyMMHJZINWMYSYMN-UHFFFAOYSA-N
XLogP-2.40
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,5-triamino-4-oxopentanoic 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 2,2,5-triamino-4-oxopentanoic acid?
The IUPAC name of 2,2,5-triamino-4-oxopentanoic acid (CID 23088202) is 2,2,5-triamino-4-oxopentanoic acid.
What is the SMILES notation for 2,2,5-triamino-4-oxopentanoic acid?
The canonical SMILES for 2,2,5-triamino-4-oxopentanoic acid is NCC(=O)CC(N)(N)C(=O)O.
What is the InChIKey of 2,2,5-triamino-4-oxopentanoic acid?
The InChIKey is MMHJZINWMYSYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-2-3(9)1-5(7,8)4(10)11/h1-2,6-8H2,(H,10,11).
What are the key properties of 2,2,5-triamino-4-oxopentanoic acid?
2,2,5-triamino-4-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of -2.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triamino-4-oxopentanoic acid is sourced from PubChem (CID 23088202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).