3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid

C9H19N3O2 — CID 64693342

IUPAC3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCN1CCN(C(CN)C(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c1-2-11-3-5-12(6-4-11)8(7-10)9(13)14/h8H,2-7,10H2,1H3,(H,13,14)
InChIKeySISXGUFJVACAAR-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.96
Rot. Bonds4

About 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid

3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid (PubChem CID 64693342) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
PubChem CID64693342
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCN1CCN(C(CN)C(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c1-2-11-3-5-12(6-4-11)8(7-10)9(13)14/h8H,2-7,10H2,1H3,(H,13,14)
InChIKeySISXGUFJVACAAR-UHFFFAOYSA-N
XLogP-0.96
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-ethylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid (CID 64693342) is 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid is CCN1CCN(C(CN)C(=O)O)CC1.
What is the InChIKey of 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
The InChIKey is SISXGUFJVACAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-11-3-5-12(6-4-11)8(7-10)9(13)14/h8H,2-7,10H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 64693342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).