3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid

C11H21N3O4 — CID 79473010

IUPAC3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
SMILESNCCOCC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O4/c12-2-8-18-9-10(15)14-6-4-13(5-7-14)3-1-11(16)17/h1-9,12H2,(H,16,17)
InChIKeyAZKFPHWUHMWQPM-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.42
Rot. Bonds7

About 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid

3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 79473010) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
PubChem CID79473010
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
SMILESNCCOCC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O4/c12-2-8-18-9-10(15)14-6-4-13(5-7-14)3-1-11(16)17/h1-9,12H2,(H,16,17)
InChIKeyAZKFPHWUHMWQPM-UHFFFAOYSA-N
XLogP-1.42
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-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

2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
CID 79463496
3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
CID 112602028
1-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 79473074
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
3-[4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]piperazin-1-yl]propanoic acid
CID 106239250
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
3-(4-but-3-enoylpiperazin-1-yl)propanoic acid
CID 62683475
3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
CID 64677360
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid
CID 79478387
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid (CID 79473010) is 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid is NCCOCC(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is AZKFPHWUHMWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c12-2-8-18-9-10(15)14-6-4-13(5-7-14)3-1-11(16)17/h1-9,12H2,(H,16,17).
What are the key properties of 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 79473010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).