3-[4-(dimethylamino)piperidin-1-yl]propanoic acid

C10H20N2O2 — CID 43586199

IUPAC3-[4-(dimethylamino)piperidin-1-yl]propanoic acid
SMILESCN(C)C1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11(2)9-3-6-12(7-4-9)8-5-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyQMGPRWCGPMMMTP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds4

About 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid

3-[4-(dimethylamino)piperidin-1-yl]propanoic acid (PubChem CID 43586199) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]propanoic acid
PubChem CID43586199
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]propanoic acid
SMILESCN(C)C1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11(2)9-3-6-12(7-4-9)8-5-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyQMGPRWCGPMMMTP-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid (CID 43586199) is 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid is CN(C)C1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid?
The InChIKey is QMGPRWCGPMMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)9-3-6-12(7-4-9)8-5-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid?
3-[4-(dimethylamino)piperidin-1-yl]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 43586199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).