2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

C14H23N3O3 — CID 43521823

IUPAC2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESC=CCN(CC=C)C(=O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H23N3O3/c1-3-5-17(6-4-2)13(18)11-15-7-9-16(10-8-15)12-14(19)20/h3-4H,1-2,5-12H2,(H,19,20)
InChIKeyMHLRFCGQELJUAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.11
Rot. Bonds8

About 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (PubChem CID 43521823) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
PubChem CID43521823
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESC=CCN(CC=C)C(=O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H23N3O3/c1-3-5-17(6-4-2)13(18)11-15-7-9-16(10-8-15)12-14(19)20/h3-4H,1-2,5-12H2,(H,19,20)
InChIKeyMHLRFCGQELJUAT-UHFFFAOYSA-N
XLogP-0.11
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic 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 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (CID 43521823) is 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is C=CCN(CC=C)C(=O)CN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The InChIKey is MHLRFCGQELJUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-17(6-4-2)13(18)11-15-7-9-16(10-8-15)12-14(19)20/h3-4H,1-2,5-12H2,(H,19,20).
What are the key properties of 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of -0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).