4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid

C13H25N3O3 — CID 83019739

IUPAC4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C13H25N3O3/c1-11(2)16(10-6-7-12(17)18)13(19)14-15-8-4-3-5-9-15/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKCFDERYPXKXXDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.67
Rot. Bonds6

About 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid

4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid (PubChem CID 83019739) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid
PubChem CID83019739
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C13H25N3O3/c1-11(2)16(10-6-7-12(17)18)13(19)14-15-8-4-3-5-9-15/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKCFDERYPXKXXDZ-UHFFFAOYSA-N
XLogP1.67
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid (CID 83019739) is 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is KCFDERYPXKXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(2)16(10-6-7-12(17)18)13(19)14-15-8-4-3-5-9-15/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid?
4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 83019739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).