4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid

C8H15N3O3 — CID 82282364

IUPAC4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid
SMILESNN1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C8H15N3O3/c9-11-5-3-10(4-6-11)7(12)1-2-8(13)14/h1-6,9H2,(H,13,14)
InChIKeyAODKVWLIJRKDDR-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.13
Rot. Bonds3

About 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid

4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid (PubChem CID 82282364) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid
PubChem CID82282364
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid
SMILESNN1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C8H15N3O3/c9-11-5-3-10(4-6-11)7(12)1-2-8(13)14/h1-6,9H2,(H,13,14)
InChIKeyAODKVWLIJRKDDR-UHFFFAOYSA-N
XLogP-1.13
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid (CID 82282364) is 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid is NN1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid?
The InChIKey is AODKVWLIJRKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-11-5-3-10(4-6-11)7(12)1-2-8(13)14/h1-6,9H2,(H,13,14).
What are the key properties of 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid?
4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid has a molecular weight of 201.23 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperazin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 82282364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).