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

C13H15NO3 — CID 2079530

IUPAC[2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCc1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(9-17-13(16)11-6-7-11)14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKeySAJJHMABYYZVRE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds5

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

[2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2079530) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2079530
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCc1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(9-17-13(16)11-6-7-11)14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKeySAJJHMABYYZVRE-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
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] cyclopropanecarboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate (CID 2079530) is [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is SAJJHMABYYZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(9-17-13(16)11-6-7-11)14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15).
What are the key properties of [2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(benzylamino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.26, 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] cyclopropanecarboxylate is sourced from PubChem (CID 2079530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).