2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid

C9H15N3O4 — CID 64582295

IUPAC2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-6(13)11-7(9(15)16)4-12-3-2-10-8(14)5-12/h7H,2-5H2,1H3,(H,10,14)(H,11,13)(H,15,16)
InChIKeyXZHWHZFQBHVLSM-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.99
Rot. Bonds4

About 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid

2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid (PubChem CID 64582295) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
PubChem CID64582295
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-6(13)11-7(9(15)16)4-12-3-2-10-8(14)5-12/h7H,2-5H2,1H3,(H,10,14)(H,11,13)(H,15,16)
InChIKeyXZHWHZFQBHVLSM-UHFFFAOYSA-N
XLogP-1.99
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid 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-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
CID 64582931
2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
CID 64581512
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
methyl 2-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanoate
CID 65366327
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
CID 64581514
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
CID 60636396
2-acetamido-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 64582929
(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580
2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
CID 79469214

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid (CID 64582295) is 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid is CC(=O)NC(CN1CCNC(=O)C1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is XZHWHZFQBHVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-6(13)11-7(9(15)16)4-12-3-2-10-8(14)5-12/h7H,2-5H2,1H3,(H,10,14)(H,11,13)(H,15,16).
What are the key properties of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 64582295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).