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

C12H23N3O3 — CID 83019897

IUPAC3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NN1CCCCC1)C(C)CC(=O)O
InChIInChI=1S/C12H23N3O3/c1-3-15(10(2)9-11(16)17)12(18)13-14-7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyJNNMBZHUCKWRMC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.28
Rot. Bonds5

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

3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid (PubChem CID 83019897) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid
PubChem CID83019897
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NN1CCCCC1)C(C)CC(=O)O
InChIInChI=1S/C12H23N3O3/c1-3-15(10(2)9-11(16)17)12(18)13-14-7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyJNNMBZHUCKWRMC-UHFFFAOYSA-N
XLogP1.28
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.28
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]butanoic acid?
The IUPAC name of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid (CID 83019897) is 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid is CCN(C(=O)NN1CCCCC1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid?
The InChIKey is JNNMBZHUCKWRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-15(10(2)9-11(16)17)12(18)13-14-7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid?
3-[ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.28, 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]butanoic acid is sourced from PubChem (CID 83019897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).