2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid

C11H21NO2 — CID 91519898

IUPAC2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid
SMILESCCC1C(C)CCCN1C(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-10-8(2)6-5-7-12(10)9(3)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyCYKRASWJOKFDJP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid

2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid (PubChem CID 91519898) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid
PubChem CID91519898
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid
SMILESCCC1C(C)CCCN1C(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-10-8(2)6-5-7-12(10)9(3)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyCYKRASWJOKFDJP-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid (CID 91519898) is 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid is CCC1C(C)CCCN1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid?
The InChIKey is CYKRASWJOKFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10-8(2)6-5-7-12(10)9(3)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid?
2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 91519898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).