2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid

C13H26N2O2 — CID 115353170

IUPAC2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
SMILESCCC(NC1CCN(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-5-11(12(16)17)14-10-6-8-15(9-7-10)13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyLUZGZPMUZVPONU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds4

About 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid

2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid (PubChem CID 115353170) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
PubChem CID115353170
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
SMILESCCC(NC1CCN(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-5-11(12(16)17)14-10-6-8-15(9-7-10)13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyLUZGZPMUZVPONU-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid (CID 115353170) is 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid is CCC(NC1CCN(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is LUZGZPMUZVPONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-11(12(16)17)14-10-6-8-15(9-7-10)13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid?
2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 115353170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).