3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid

C11H22N2O2 — CID 83990161

IUPAC3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
SMILESCCNC1CC(CCC(=O)O)CN(C)C1
InChIInChI=1S/C11H22N2O2/c1-3-12-10-6-9(4-5-11(14)15)7-13(2)8-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyRTHGGWWXVMZCGK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid

3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid (PubChem CID 83990161) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
PubChem CID83990161
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
SMILESCCNC1CC(CCC(=O)O)CN(C)C1
InChIInChI=1S/C11H22N2O2/c1-3-12-10-6-9(4-5-11(14)15)7-13(2)8-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyRTHGGWWXVMZCGK-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
CID 83989535
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid (CID 83990161) is 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid is CCNC1CC(CCC(=O)O)CN(C)C1.
What is the InChIKey of 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid?
The InChIKey is RTHGGWWXVMZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-10-6-9(4-5-11(14)15)7-13(2)8-10/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid?
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 83990161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).