4-[(2S)-2-aminobutanoyl]piperazin-2-one

C8H15N3O2 — CID 79025324

IUPAC4-[(2S)-2-aminobutanoyl]piperazin-2-one
SMILESCC[C@H](N)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H15N3O2/c1-2-6(9)8(13)11-4-3-10-7(12)5-11/h6H,2-5,9H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyKFOHMBGKLYBRPN-LURJTMIESA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds2

About 4-[(2S)-2-aminobutanoyl]piperazin-2-one

4-[(2S)-2-aminobutanoyl]piperazin-2-one (PubChem CID 79025324) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[(2S)-2-aminobutanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-aminobutanoyl]piperazin-2-one
PubChem CID79025324
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-[(2S)-2-aminobutanoyl]piperazin-2-one
SMILESCC[C@H](N)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H15N3O2/c1-2-6(9)8(13)11-4-3-10-7(12)5-11/h6H,2-5,9H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyKFOHMBGKLYBRPN-LURJTMIESA-N
XLogP-1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-aminobutanoyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminohexanoyl)piperazin-2-one
CID 60853843
4-(2-methylpentanoyl)piperazin-2-one
CID 42930413
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 65366224
4-(5-amino-2-methylpentanoyl)piperazin-2-one
CID 104683524
4-(2-methylsulfanylpropanoyl)piperazin-2-one
CID 126998947
3-amino-4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 64894985
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-acetylpiperazin-2-one
CID 12744517
1-(2-amino-4-methylsulfanylbutanoyl)-1,4-diazepan-5-one
CID 76981850
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914
4-(2-phenylpentanoyl)piperazin-2-one
CID 42910023
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminobutanoyl]piperazin-2-one?
The IUPAC name of 4-[(2S)-2-aminobutanoyl]piperazin-2-one (CID 79025324) is 4-[(2S)-2-aminobutanoyl]piperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-aminobutanoyl]piperazin-2-one?
The canonical SMILES for 4-[(2S)-2-aminobutanoyl]piperazin-2-one is CC[C@H](N)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[(2S)-2-aminobutanoyl]piperazin-2-one?
The InChIKey is KFOHMBGKLYBRPN-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-6(9)8(13)11-4-3-10-7(12)5-11/h6H,2-5,9H2,1H3,(H,10,12)/t6-/m0/s1.
What are the key properties of 4-[(2S)-2-aminobutanoyl]piperazin-2-one?
4-[(2S)-2-aminobutanoyl]piperazin-2-one has a molecular weight of 185.23 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminobutanoyl]piperazin-2-one is sourced from PubChem (CID 79025324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).