[2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate

C14H17NO3 — CID 7717405

IUPAC[2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c16-13(10-18-14(17)12-7-4-8-12)15-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyAZUJAGSRLGQCLM-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.65
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate

[2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717405) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717405
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c16-13(10-18-14(17)12-7-4-8-12)15-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyAZUJAGSRLGQCLM-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate (CID 7717405) is [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is AZUJAGSRLGQCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(10-18-14(17)12-7-4-8-12)15-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16).
What are the key properties of [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).