3-(1-propan-2-ylpiperidin-4-yl)propanoic acid

C11H21NO2 — CID 23062685

IUPAC3-(1-propan-2-ylpiperidin-4-yl)propanoic acid
SMILESCC(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-7-5-10(6-8-12)3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyTTYAZLFLLUBUGW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid

3-(1-propan-2-ylpiperidin-4-yl)propanoic acid (PubChem CID 23062685) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)propanoic acid
PubChem CID23062685
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)propanoic acid
SMILESCC(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-7-5-10(6-8-12)3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyTTYAZLFLLUBUGW-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid (CID 23062685) is 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid is CC(C)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid?
The InChIKey is TTYAZLFLLUBUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12-7-5-10(6-8-12)3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid?
3-(1-propan-2-ylpiperidin-4-yl)propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 23062685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).