(2-benzamido-2-oxoethyl) cyclobutanecarboxylate

C14H15NO4 — CID 7717326

IUPAC(2-benzamido-2-oxoethyl) cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NC(=O)c1ccccc1
InChIInChI=1S/C14H15NO4/c16-12(9-19-14(18)11-7-4-8-11)15-13(17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16,17)
InChIKeyGUJDRPNJNZMXGL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.29
Rot. Bonds4

About (2-benzamido-2-oxoethyl) cyclobutanecarboxylate

(2-benzamido-2-oxoethyl) cyclobutanecarboxylate (PubChem CID 7717326) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) cyclobutanecarboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) cyclobutanecarboxylate
PubChem CID7717326
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2-benzamido-2-oxoethyl) cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NC(=O)c1ccccc1
InChIInChI=1S/C14H15NO4/c16-12(9-19-14(18)11-7-4-8-11)15-13(17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16,17)
InChIKeyGUJDRPNJNZMXGL-UHFFFAOYSA-N
XLogP1.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Benzamido-2-oxoethyl) cyclopropanecarboxylate
CID 7863473
[2-(Benzylamino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717405
(2-Benzamido-2-oxoethyl) 2-phenylbutanoate
CID 16528422
[2-[(4-Tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4875476
(2-Benzamido-2-oxoethyl) 2-methylcyclopropane-1-carboxylate
CID 16282070
(2-Benzamido-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 16539331
(2-Benzamido-2-oxoethyl) 2-(4-fluorophenyl)acetate
CID 7759086
methyl N-benzoyl-2-methylalaninate
CID 7208649
Methyl 2-benzamido-2-methylbutanoate
CID 102407670
Methyl 2-benzamido-2,4-dimethylpentanoate
CID 102407674
Ethyl 2-benzamido-4-methylpentanoate
CID 12773376
Benzoylleucine ethyl ester
CID 12773377

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) cyclobutanecarboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) cyclobutanecarboxylate (CID 7717326) is (2-benzamido-2-oxoethyl) cyclobutanecarboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) cyclobutanecarboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) cyclobutanecarboxylate?
The InChIKey is GUJDRPNJNZMXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-12(9-19-14(18)11-7-4-8-11)15-13(17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16,17).
What are the key properties of (2-benzamido-2-oxoethyl) cyclobutanecarboxylate?
(2-benzamido-2-oxoethyl) cyclobutanecarboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.29, 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) cyclobutanecarboxylate is sourced from PubChem (CID 7717326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).