2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid

C12H24N2O2 — CID 103261111

IUPAC2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-8(2)11(12(15)16)13-14-9(3)6-5-7-10(14)4/h8-11,13H,5-7H2,1-4H3,(H,15,16)
InChIKeyPABJLDGHEGZPLB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.86
Rot. Bonds4

About 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid

2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid (PubChem CID 103261111) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
PubChem CID103261111
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-8(2)11(12(15)16)13-14-9(3)6-5-7-10(14)4/h8-11,13H,5-7H2,1-4H3,(H,15,16)
InChIKeyPABJLDGHEGZPLB-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid (CID 103261111) is 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid is CC(C)C(NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid?
The InChIKey is PABJLDGHEGZPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)11(12(15)16)13-14-9(3)6-5-7-10(14)4/h8-11,13H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid?
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 103261111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).