3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid

C15H25N3O3 — CID 43522393

IUPAC3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESC=CCN(CC=C)C(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C15H25N3O3/c1-3-6-18(7-4-2)14(19)13-17-11-9-16(10-12-17)8-5-15(20)21/h3-4H,1-2,5-13H2,(H,20,21)
InChIKeyQFWFYFQVPMEXHK-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.28
Rot. Bonds9

About 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid

3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid (PubChem CID 43522393) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid
PubChem CID43522393
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESC=CCN(CC=C)C(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C15H25N3O3/c1-3-6-18(7-4-2)14(19)13-17-11-9-16(10-12-17)8-5-15(20)21/h3-4H,1-2,5-13H2,(H,20,21)
InChIKeyQFWFYFQVPMEXHK-UHFFFAOYSA-N
XLogP0.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid (CID 43522393) is 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid is C=CCN(CC=C)C(=O)CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid?
The InChIKey is QFWFYFQVPMEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-6-18(7-4-2)14(19)13-17-11-9-16(10-12-17)8-5-15(20)21/h3-4H,1-2,5-13H2,(H,20,21).
What are the key properties of 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid?
3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 0.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).