benzyl 2-acetylmorpholine-4-carboxylate

C14H17NO4 — CID 18354411

IUPACbenzyl 2-acetylmorpholine-4-carboxylate
SMILESCC(=O)C1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C14H17NO4/c1-11(16)13-9-15(7-8-18-13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyGWWOZOYYIYINFX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.61
Rot. Bonds3

About benzyl 2-acetylmorpholine-4-carboxylate

benzyl 2-acetylmorpholine-4-carboxylate (PubChem CID 18354411) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl 2-acetylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-acetylmorpholine-4-carboxylate
PubChem CID18354411
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl 2-acetylmorpholine-4-carboxylate
SMILESCC(=O)C1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C14H17NO4/c1-11(16)13-9-15(7-8-18-13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyGWWOZOYYIYINFX-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-acetylmorpholine-4-carboxylate?
The IUPAC name of benzyl 2-acetylmorpholine-4-carboxylate (CID 18354411) is benzyl 2-acetylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-acetylmorpholine-4-carboxylate?
The canonical SMILES for benzyl 2-acetylmorpholine-4-carboxylate is CC(=O)C1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl 2-acetylmorpholine-4-carboxylate?
The InChIKey is GWWOZOYYIYINFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11(16)13-9-15(7-8-18-13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of benzyl 2-acetylmorpholine-4-carboxylate?
benzyl 2-acetylmorpholine-4-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-acetylmorpholine-4-carboxylate is sourced from PubChem (CID 18354411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).