2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 106744591

IUPAC2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESC=C(C)COCCNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H24N2O4/c1-10(2)9-20-7-5-15-14(19)16-6-4-12(13(17)18)8-11(16)3/h11-12H,1,4-9H2,2-3H3,(H,15,19)(H,17,18)
InChIKeyJGSLVXGLAUZJDM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds6

About 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744591) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106744591
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESC=C(C)COCCNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H24N2O4/c1-10(2)9-20-7-5-15-14(19)16-6-4-12(13(17)18)8-11(16)3/h11-12H,1,4-9H2,2-3H3,(H,15,19)(H,17,18)
InChIKeyJGSLVXGLAUZJDM-UHFFFAOYSA-N
XLogP1.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 106744591) is 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid is C=C(C)COCCNC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is JGSLVXGLAUZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)9-20-7-5-15-14(19)16-6-4-12(13(17)18)8-11(16)3/h11-12H,1,4-9H2,2-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).