(2-benzamido-2-oxoethyl) cyclopropanecarboxylate

C13H13NO4 — CID 7863473

IUPAC(2-benzamido-2-oxoethyl) cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NC(=O)c1ccccc1
InChIInChI=1S/C13H13NO4/c15-11(8-18-13(17)10-6-7-10)14-12(16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15,16)
InChIKeyMNAAPFPPOSLJCX-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.90
Rot. Bonds4

About (2-benzamido-2-oxoethyl) cyclopropanecarboxylate

(2-benzamido-2-oxoethyl) cyclopropanecarboxylate (PubChem CID 7863473) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) cyclopropanecarboxylate
PubChem CID7863473
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(2-benzamido-2-oxoethyl) cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NC(=O)c1ccccc1
InChIInChI=1S/C13H13NO4/c15-11(8-18-13(17)10-6-7-10)14-12(16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15,16)
InChIKeyMNAAPFPPOSLJCX-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) cyclopropanecarboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) cyclopropanecarboxylate (CID 7863473) is (2-benzamido-2-oxoethyl) cyclopropanecarboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) cyclopropanecarboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) cyclopropanecarboxylate?
The InChIKey is MNAAPFPPOSLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-11(8-18-13(17)10-6-7-10)14-12(16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15,16).
What are the key properties of (2-benzamido-2-oxoethyl) cyclopropanecarboxylate?
(2-benzamido-2-oxoethyl) cyclopropanecarboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) cyclopropanecarboxylate is sourced from PubChem (CID 7863473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).