3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid

C11H21N3O3 — CID 83019486

IUPAC3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C11H21N3O3/c1-2-13(9-6-10(15)16)11(17)12-14-7-4-3-5-8-14/h2-9H2,1H3,(H,12,17)(H,15,16)
InChIKeyWEQKACIAMAXHGL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.89
Rot. Bonds5

About 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid

3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid (PubChem CID 83019486) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid
PubChem CID83019486
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C11H21N3O3/c1-2-13(9-6-10(15)16)11(17)12-14-7-4-3-5-8-14/h2-9H2,1H3,(H,12,17)(H,15,16)
InChIKeyWEQKACIAMAXHGL-UHFFFAOYSA-N
XLogP0.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid (CID 83019486) is 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid?
The InChIKey is WEQKACIAMAXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-13(9-6-10(15)16)11(17)12-14-7-4-3-5-8-14/h2-9H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid?
3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 83019486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).