3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid

C10H17N3O4 — CID 140981613

IUPAC3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid
SMILESNCCCN1CCN(CCC(=O)O)C(=O)C1=O
InChIInChI=1S/C10H17N3O4/c11-3-1-4-12-6-7-13(5-2-8(14)15)10(17)9(12)16/h1-7,11H2,(H,14,15)
InChIKeyIUCSJFJLLFHCOY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.52
Rot. Bonds6

About 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid

3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid (PubChem CID 140981613) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid
PubChem CID140981613
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid
SMILESNCCCN1CCN(CCC(=O)O)C(=O)C1=O
InChIInChI=1S/C10H17N3O4/c11-3-1-4-12-6-7-13(5-2-8(14)15)10(17)9(12)16/h1-7,11H2,(H,14,15)
InChIKeyIUCSJFJLLFHCOY-UHFFFAOYSA-N
XLogP-1.52
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)-4-methylpiperazine-2,3-dione
CID 62927891
[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl] 3,3-diphenylpropanoate
CID 22443992
1-(3-aminopropyl)-3-methylimidazolidin-2-one
CID 59225431
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
1-(3-aminopropyl)-3-iodopyrrolidin-2-one
CID 69498568
5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
CID 55213300
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
3-(3-aminopropyl)-1,3-oxazinan-2-one
CID 62269865
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
CID 13085943
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
CID 63653557
1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione
CID 62017487

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid (CID 140981613) is 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid is NCCCN1CCN(CCC(=O)O)C(=O)C1=O.
What is the InChIKey of 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid?
The InChIKey is IUCSJFJLLFHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-3-1-4-12-6-7-13(5-2-8(14)15)10(17)9(12)16/h1-7,11H2,(H,14,15).
What are the key properties of 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid?
3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]propanoic acid is sourced from PubChem (CID 140981613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).