3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid

C16H23F3N2O5 — CID 146572061

IUPAC3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(C(=O)C1(C(F)(F)F)CCC1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C16H23F3N2O5/c1-2-26-12(22)10-21(11-5-3-8-20(9-11)14(24)25)13(23)15(6-4-7-15)16(17,18)19/h11H,2-10H2,1H3,(H,24,25)
InChIKeyWZUYLYUGZGSKLH-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.25
Rot. Bonds5

About 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid

3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 146572061) has the molecular formula C16H23F3N2O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid
PubChem CID146572061
Molecular FormulaC16H23F3N2O5
Molecular Weight380.36 g/mol
Exact Mass380.16
IUPAC Name3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(C(=O)C1(C(F)(F)F)CCC1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C16H23F3N2O5/c1-2-26-12(22)10-21(11-5-3-8-20(9-11)14(24)25)13(23)15(6-4-7-15)16(17,18)19/h11H,2-10H2,1H3,(H,24,25)
InChIKeyWZUYLYUGZGSKLH-UHFFFAOYSA-N
XLogP2.25
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid (CID 146572061) is 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid is CCOC(=O)CN(C(=O)C1(C(F)(F)F)CCC1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is WZUYLYUGZGSKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O5/c1-2-26-12(22)10-21(11-5-3-8-20(9-11)14(24)25)13(23)15(6-4-7-15)16(17,18)19/h11H,2-10H2,1H3,(H,24,25).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid?
3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 380.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)-[1-(trifluoromethyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 146572061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).