4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid

C10H15NO3 — CID 54033875

IUPAC4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid
SMILESC=C(C)C(=O)C1(C(=O)O)CCNCC1
InChIInChI=1S/C10H15NO3/c1-7(2)8(12)10(9(13)14)3-5-11-6-4-10/h11H,1,3-6H2,2H3,(H,13,14)
InChIKeyLHOAONVZQHPBJO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.59
Rot. Bonds3

About 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid

4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid (PubChem CID 54033875) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid
PubChem CID54033875
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid
SMILESC=C(C)C(=O)C1(C(=O)O)CCNCC1
InChIInChI=1S/C10H15NO3/c1-7(2)8(12)10(9(13)14)3-5-11-6-4-10/h11H,1,3-6H2,2H3,(H,13,14)
InChIKeyLHOAONVZQHPBJO-UHFFFAOYSA-N
XLogP0.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid (CID 54033875) is 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid is C=C(C)C(=O)C1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid?
The InChIKey is LHOAONVZQHPBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)8(12)10(9(13)14)3-5-11-6-4-10/h11H,1,3-6H2,2H3,(H,13,14).
What are the key properties of 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid?
4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 54033875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).