(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid

C13H23NO2 — CID 18358639

IUPAC(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
SMILESC/C(=C\C1CC(C)(C)NC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H23NO2/c1-9(11(15)16)6-10-7-12(2,3)14-13(4,5)8-10/h6,10,14H,7-8H2,1-5H3,(H,15,16)/b9-6+
InChIKeyMSMFACYBNJFPEY-RMKNXTFCSA-N
MW225.33 g/mol
LogP2.57
Rot. Bonds2

About (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid

(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid (PubChem CID 18358639) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
PubChem CID18358639
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
SMILESC/C(=C\C1CC(C)(C)NC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H23NO2/c1-9(11(15)16)6-10-7-12(2,3)14-13(4,5)8-10/h6,10,14H,7-8H2,1-5H3,(H,15,16)/b9-6+
InChIKeyMSMFACYBNJFPEY-RMKNXTFCSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid (CID 18358639) is (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid is C/C(=C\C1CC(C)(C)NC(C)(C)C1)C(=O)O.
What is the InChIKey of (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
The InChIKey is MSMFACYBNJFPEY-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(11(15)16)6-10-7-12(2,3)14-13(4,5)8-10/h6,10,14H,7-8H2,1-5H3,(H,15,16)/b9-6+.
What are the key properties of (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid is sourced from PubChem (CID 18358639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).