2-methyl-3-piperidin-4-ylbut-2-enoic acid

C10H17NO2 — CID 151378680

IUPAC2-methyl-3-piperidin-4-ylbut-2-enoic acid
SMILESCC(C(=O)O)=C(C)C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-7(8(2)10(12)13)9-3-5-11-6-4-9/h9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyORYIZUYLLSYNCD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds2

About 2-methyl-3-piperidin-4-ylbut-2-enoic acid

2-methyl-3-piperidin-4-ylbut-2-enoic acid (PubChem CID 151378680) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-3-piperidin-4-ylbut-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-piperidin-4-ylbut-2-enoic acid
PubChem CID151378680
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-3-piperidin-4-ylbut-2-enoic acid
SMILESCC(C(=O)O)=C(C)C1CCNCC1
InChIInChI=1S/C10H17NO2/c1-7(8(2)10(12)13)9-3-5-11-6-4-9/h9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyORYIZUYLLSYNCD-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-4-ylbut-2-enoic acid?
The IUPAC name of 2-methyl-3-piperidin-4-ylbut-2-enoic acid (CID 151378680) is 2-methyl-3-piperidin-4-ylbut-2-enoic acid.
What is the SMILES notation for 2-methyl-3-piperidin-4-ylbut-2-enoic acid?
The canonical SMILES for 2-methyl-3-piperidin-4-ylbut-2-enoic acid is CC(C(=O)O)=C(C)C1CCNCC1.
What is the InChIKey of 2-methyl-3-piperidin-4-ylbut-2-enoic acid?
The InChIKey is ORYIZUYLLSYNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(8(2)10(12)13)9-3-5-11-6-4-9/h9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-piperidin-4-ylbut-2-enoic acid?
2-methyl-3-piperidin-4-ylbut-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-4-ylbut-2-enoic acid is sourced from PubChem (CID 151378680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).