4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid

C14H28N2O2 — CID 138640733

IUPAC4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid
SMILESCC(C)CCN(CCCC(=O)O)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)7-11-16(10-3-4-14(17)18)13-5-8-15-9-6-13/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyJOVLSRMJUCDIPK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.95
Rot. Bonds8

About 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid

4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid (PubChem CID 138640733) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid
PubChem CID138640733
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid
SMILESCC(C)CCN(CCCC(=O)O)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)7-11-16(10-3-4-14(17)18)13-5-8-15-9-6-13/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyJOVLSRMJUCDIPK-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid (CID 138640733) is 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid is CC(C)CCN(CCCC(=O)O)C1CCNCC1.
What is the InChIKey of 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid?
The InChIKey is JOVLSRMJUCDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)7-11-16(10-3-4-14(17)18)13-5-8-15-9-6-13/h12-13,15H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid?
4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methylbutyl(piperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 138640733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).