benzyl 3-methoxymorpholine-4-carboxylate

C13H17NO4 — CID 138975314

IUPACbenzyl 3-methoxymorpholine-4-carboxylate
SMILESCOC1COCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO4/c1-16-12-10-17-8-7-14(12)13(15)18-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyYHUVEUDMZHZFAO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.63
Rot. Bonds3

About benzyl 3-methoxymorpholine-4-carboxylate

benzyl 3-methoxymorpholine-4-carboxylate (PubChem CID 138975314) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is benzyl 3-methoxymorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methoxymorpholine-4-carboxylate
PubChem CID138975314
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namebenzyl 3-methoxymorpholine-4-carboxylate
SMILESCOC1COCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO4/c1-16-12-10-17-8-7-14(12)13(15)18-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyYHUVEUDMZHZFAO-UHFFFAOYSA-N
XLogP1.63
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 3-methoxymorpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methoxymorpholine-4-carboxylate?
The IUPAC name of benzyl 3-methoxymorpholine-4-carboxylate (CID 138975314) is benzyl 3-methoxymorpholine-4-carboxylate.
What is the SMILES notation for benzyl 3-methoxymorpholine-4-carboxylate?
The canonical SMILES for benzyl 3-methoxymorpholine-4-carboxylate is COC1COCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-methoxymorpholine-4-carboxylate?
The InChIKey is YHUVEUDMZHZFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-12-10-17-8-7-14(12)13(15)18-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of benzyl 3-methoxymorpholine-4-carboxylate?
benzyl 3-methoxymorpholine-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methoxymorpholine-4-carboxylate is sourced from PubChem (CID 138975314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).