3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid

C12H23NO2 — CID 19099568

IUPAC3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid
SMILESCC1CCN(C)C(C)C1(C)CCC(=O)O
InChIInChI=1S/C12H23NO2/c1-9-6-8-13(4)10(2)12(9,3)7-5-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyVRXUKIMTFCQRHF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds3

About 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid

3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid (PubChem CID 19099568) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid
PubChem CID19099568
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid
SMILESCC1CCN(C)C(C)C1(C)CCC(=O)O
InChIInChI=1S/C12H23NO2/c1-9-6-8-13(4)10(2)12(9,3)7-5-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyVRXUKIMTFCQRHF-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid?
The IUPAC name of 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid (CID 19099568) is 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid is CC1CCN(C)C(C)C1(C)CCC(=O)O.
What is the InChIKey of 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid?
The InChIKey is VRXUKIMTFCQRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-8-13(4)10(2)12(9,3)7-5-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid?
3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 19099568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).