4-amino-2-piperazin-1-ylbutanoic acid

C8H17N3O2 — CID 67019212

IUPAC4-amino-2-piperazin-1-ylbutanoic acid
SMILESNCCC(C(=O)O)N1CCNCC1
InChIInChI=1S/C8H17N3O2/c9-2-1-7(8(12)13)11-5-3-10-4-6-11/h7,10H,1-6,9H2,(H,12,13)
InChIKeyHURWISPGBXQYIU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.31
Rot. Bonds4

About 4-amino-2-piperazin-1-ylbutanoic acid

4-amino-2-piperazin-1-ylbutanoic acid (PubChem CID 67019212) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-amino-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-piperazin-1-ylbutanoic acid
PubChem CID67019212
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-amino-2-piperazin-1-ylbutanoic acid
SMILESNCCC(C(=O)O)N1CCNCC1
InChIInChI=1S/C8H17N3O2/c9-2-1-7(8(12)13)11-5-3-10-4-6-11/h7,10H,1-6,9H2,(H,12,13)
InChIKeyHURWISPGBXQYIU-UHFFFAOYSA-N
XLogP-1.31
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-piperazin-1-ylbutanoic acid 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-amino-2-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-amino-2-piperazin-1-ylbutanoic acid (CID 67019212) is 4-amino-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-amino-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-amino-2-piperazin-1-ylbutanoic acid is NCCC(C(=O)O)N1CCNCC1.
What is the InChIKey of 4-amino-2-piperazin-1-ylbutanoic acid?
The InChIKey is HURWISPGBXQYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-2-1-7(8(12)13)11-5-3-10-4-6-11/h7,10H,1-6,9H2,(H,12,13).
What are the key properties of 4-amino-2-piperazin-1-ylbutanoic acid?
4-amino-2-piperazin-1-ylbutanoic acid has a molecular weight of 187.24 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 67019212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).