3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide

C15H27N3O3 — CID 68545523

IUPAC3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
SMILESC=CCN(CC=C)CCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO2.C6H12N2O/c1-3-6-10(7-4-2)8-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h3-4H,1-2,5-8H2,(H,11,12);1-5H2,(H2,7,9)
InChIKeyNIEWPFOQBPBIFG-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.69
Rot. Bonds7

About 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide

3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide (PubChem CID 68545523) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
PubChem CID68545523
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
SMILESC=CCN(CC=C)CCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO2.C6H12N2O/c1-3-6-10(7-4-2)8-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h3-4H,1-2,5-8H2,(H,11,12);1-5H2,(H2,7,9)
InChIKeyNIEWPFOQBPBIFG-UHFFFAOYSA-N
XLogP1.69
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide?
The IUPAC name of 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide (CID 68545523) is 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide is C=CCN(CC=C)CCC(=O)O.NC(=O)N1CCCCC1.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide?
The InChIKey is NIEWPFOQBPBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C6H12N2O/c1-3-6-10(7-4-2)8-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h3-4H,1-2,5-8H2,(H,11,12);1-5H2,(H2,7,9).
What are the key properties of 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide?
3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide is sourced from PubChem (CID 68545523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).