1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 63137029

IUPAC1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-5-17(9-12(2)3)13(18)10-16-8-6-7-15(4,11-16)14(19)20/h2,5-11H2,1,3-4H3,(H,19,20)
InChIKeySEFIFVAGUQILEY-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.60
Rot. Bonds6

About 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137029) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137029
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-5-17(9-12(2)3)13(18)10-16-8-6-7-15(4,11-16)14(19)20/h2,5-11H2,1,3-4H3,(H,19,20)
InChIKeySEFIFVAGUQILEY-UHFFFAOYSA-N
XLogP1.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (CID 63137029) is 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid is C=C(C)CN(CC)C(=O)CN1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is SEFIFVAGUQILEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17(9-12(2)3)13(18)10-16-8-6-7-15(4,11-16)14(19)20/h2,5-11H2,1,3-4H3,(H,19,20).
What are the key properties of 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).