2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid

C11H19NO2 — CID 712424

IUPAC2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
SMILESCC1(C)C=C(CC(=O)O)CC(C)(C)N1
InChIInChI=1S/C11H19NO2/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10/h6,12H,5,7H2,1-4H3,(H,13,14)
InChIKeySZISVVSXLCUDMM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds2

About 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid

2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid (PubChem CID 712424) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
PubChem CID712424
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
SMILESCC1(C)C=C(CC(=O)O)CC(C)(C)N1
InChIInChI=1S/C11H19NO2/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10/h6,12H,5,7H2,1-4H3,(H,13,14)
InChIKeySZISVVSXLCUDMM-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid (CID 712424) is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid is CC1(C)C=C(CC(=O)O)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
The InChIKey is SZISVVSXLCUDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10/h6,12H,5,7H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid is sourced from PubChem (CID 712424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).