2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid

C11H22N2O2 — CID 164657630

IUPAC2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1CCN(C(C)C(N)C(=O)O)CC1C
InChIInChI=1S/C11H22N2O2/c1-7-4-5-13(6-8(7)2)9(3)10(12)11(14)15/h7-10H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyTUKQCIFYDDPXIS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid

2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid (PubChem CID 164657630) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid
PubChem CID164657630
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1CCN(C(C)C(N)C(=O)O)CC1C
InChIInChI=1S/C11H22N2O2/c1-7-4-5-13(6-8(7)2)9(3)10(12)11(14)15/h7-10H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyTUKQCIFYDDPXIS-UHFFFAOYSA-N
XLogP0.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid (CID 164657630) is 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid is CC1CCN(C(C)C(N)C(=O)O)CC1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid?
The InChIKey is TUKQCIFYDDPXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7-4-5-13(6-8(7)2)9(3)10(12)11(14)15/h7-10H,4-6,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid?
2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 164657630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).