4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid

C11H21N3O4 — CID 55076384

IUPAC4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
SMILESCOCCC(NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-18-7-2-9(11(16)17)13-10(15)8-14-5-3-12-4-6-14/h9,12H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyCHBVBGIBQQCHHV-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.50
Rot. Bonds7

About 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid

4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid (PubChem CID 55076384) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
PubChem CID55076384
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
SMILESCOCCC(NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-18-7-2-9(11(16)17)13-10(15)8-14-5-3-12-4-6-14/h9,12H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyCHBVBGIBQQCHHV-UHFFFAOYSA-N
XLogP-1.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic 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-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid (CID 55076384) is 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid is COCCC(NC(=O)CN1CCNCC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The InChIKey is CHBVBGIBQQCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-18-7-2-9(11(16)17)13-10(15)8-14-5-3-12-4-6-14/h9,12H,2-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 55076384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).