4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione

C9H15N3O3 — CID 107569988

IUPAC4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione
SMILESCCC[C@H](N)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C9H15N3O3/c1-2-3-6(10)9(15)12-4-7(13)11-8(14)5-12/h6H,2-5,10H2,1H3,(H,11,13,14)/t6-/m0/s1
InChIKeyOXICUKUWYZJAOH-LURJTMIESA-N
MW213.24 g/mol
LogP-1.40
Rot. Bonds3

About 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione

4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione (PubChem CID 107569988) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione
PubChem CID107569988
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione
SMILESCCC[C@H](N)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C9H15N3O3/c1-2-3-6(10)9(15)12-4-7(13)11-8(14)5-12/h6H,2-5,10H2,1H3,(H,11,13,14)/t6-/m0/s1
InChIKeyOXICUKUWYZJAOH-LURJTMIESA-N
XLogP-1.40
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione 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 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione?
The IUPAC name of 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione (CID 107569988) is 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione is CCC[C@H](N)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione?
The InChIKey is OXICUKUWYZJAOH-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-3-6(10)9(15)12-4-7(13)11-8(14)5-12/h6H,2-5,10H2,1H3,(H,11,13,14)/t6-/m0/s1.
What are the key properties of 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione?
4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione has a molecular weight of 213.24 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione is sourced from PubChem (CID 107569988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).