(E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid

C13H23NO2 — CID 141117079

IUPAC(E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
SMILESC/C(=C\C1CC(C)N(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C13H23NO2/c1-9(12(15)16)6-11-7-10(2)14(5)13(3,4)8-11/h6,10-11H,7-8H2,1-5H3,(H,15,16)/b9-6+
InChIKeyLMUTYUGBKUZGDL-RMKNXTFCSA-N
MW225.33 g/mol
LogP2.53
Rot. Bonds2

About (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid

(E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid (PubChem CID 141117079) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
PubChem CID141117079
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
SMILESC/C(=C\C1CC(C)N(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C13H23NO2/c1-9(12(15)16)6-11-7-10(2)14(5)13(3,4)8-11/h6,10-11H,7-8H2,1-5H3,(H,15,16)/b9-6+
InChIKeyLMUTYUGBKUZGDL-RMKNXTFCSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22755853
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CID 22755856
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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid (CID 141117079) is (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid is C/C(=C\C1CC(C)N(C)C(C)(C)C1)C(=O)O.
What is the InChIKey of (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
The InChIKey is LMUTYUGBKUZGDL-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(12(15)16)6-11-7-10(2)14(5)13(3,4)8-11/h6,10-11H,7-8H2,1-5H3,(H,15,16)/b9-6+.
What are the key properties of (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid?
(E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(1,2,2,6-tetramethylpiperidin-4-yl)prop-2-enoic acid is sourced from PubChem (CID 141117079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).