ethyl 3-benzylmorpholine-4-carboxylate

C14H19NO3 — CID 110749949

IUPACethyl 3-benzylmorpholine-4-carboxylate
SMILESCCOC(=O)N1CCOCC1Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-18-14(16)15-8-9-17-11-13(15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyUNUAVUWZNCHFIN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds3

About ethyl 3-benzylmorpholine-4-carboxylate

ethyl 3-benzylmorpholine-4-carboxylate (PubChem CID 110749949) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-benzylmorpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzylmorpholine-4-carboxylate
PubChem CID110749949
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-benzylmorpholine-4-carboxylate
SMILESCCOC(=O)N1CCOCC1Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-18-14(16)15-8-9-17-11-13(15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyUNUAVUWZNCHFIN-UHFFFAOYSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
benzyl (3S)-3-prop-2-ynylmorpholine-4-carboxylate
CID 87302423
1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
CID 123193193
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
benzyl (3R)-3-ethynylmorpholine-4-carboxylate
CID 88963201
3-benzyl-4-methylmorpholine;ethane
CID 168940239
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl (3S)-3-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 151728416
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzylmorpholine-4-carboxylate?
The IUPAC name of ethyl 3-benzylmorpholine-4-carboxylate (CID 110749949) is ethyl 3-benzylmorpholine-4-carboxylate.
What is the SMILES notation for ethyl 3-benzylmorpholine-4-carboxylate?
The canonical SMILES for ethyl 3-benzylmorpholine-4-carboxylate is CCOC(=O)N1CCOCC1Cc1ccccc1.
What is the InChIKey of ethyl 3-benzylmorpholine-4-carboxylate?
The InChIKey is UNUAVUWZNCHFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-18-14(16)15-8-9-17-11-13(15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of ethyl 3-benzylmorpholine-4-carboxylate?
ethyl 3-benzylmorpholine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzylmorpholine-4-carboxylate is sourced from PubChem (CID 110749949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).