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

C10H20N2O2 — CID 83013884

IUPAC3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid
SMILESCC1CCCC(C)N1NCCC(=O)O
InChIInChI=1S/C10H20N2O2/c1-8-4-3-5-9(2)12(8)11-7-6-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyFFVZEUUWKJZYRI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.23
Rot. Bonds4

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

3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid (PubChem CID 83013884) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid
PubChem CID83013884
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid
SMILESCC1CCCC(C)N1NCCC(=O)O
InChIInChI=1S/C10H20N2O2/c1-8-4-3-5-9(2)12(8)11-7-6-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyFFVZEUUWKJZYRI-UHFFFAOYSA-N
XLogP1.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid (CID 83013884) is 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid is CC1CCCC(C)N1NCCC(=O)O.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid?
The InChIKey is FFVZEUUWKJZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-4-3-5-9(2)12(8)11-7-6-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)amino]propanoic acid is sourced from PubChem (CID 83013884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).