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

C11H20ClNO2 — CID 90485459

IUPAC2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride
SMILESCC1(C)C=C(CC(=O)O)CC(C)(C)N1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10;/h6,12H,5,7H2,1-4H3,(H,13,14);1H
InChIKeyABWAAVNVNJYOHS-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.36
Rot. Bonds2

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

2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride (PubChem CID 90485459) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride
PubChem CID90485459
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride
SMILESCC1(C)C=C(CC(=O)O)CC(C)(C)N1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10;/h6,12H,5,7H2,1-4H3,(H,13,14);1H
InChIKeyABWAAVNVNJYOHS-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.36
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;hydrochloride?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride (CID 90485459) is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride is CC1(C)C=C(CC(=O)O)CC(C)(C)N1.Cl.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride?
The InChIKey is ABWAAVNVNJYOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-10(2)6-8(5-9(13)14)7-11(3,4)12-10;/h6,12H,5,7H2,1-4H3,(H,13,14);1H.
What are the key properties of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride?
2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.36, 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;hydrochloride is sourced from PubChem (CID 90485459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).