ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate

C15H21NO3 — CID 86651574

IUPACethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C)OCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)14-12(2)19-10-9-16(14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m0/s1
InChIKeySRMXOCTUUNFOQU-GXTWGEPZSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds4

About ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate

ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate (PubChem CID 86651574) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
PubChem CID86651574
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C)OCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)14-12(2)19-10-9-16(14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m0/s1
InChIKeySRMXOCTUUNFOQU-GXTWGEPZSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
(2S,3S)-1-benzyl-3-ethoxycarbonylaziridine-2-carboxylic acid
CID 139695326
(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
CID 164532988
(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983267
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
ethyl 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 14470232
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate?
The IUPAC name of ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate (CID 86651574) is ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate?
The canonical SMILES for ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate is CCOC(=O)[C@H]1[C@H](C)OCCN1Cc1ccccc1.
What is the InChIKey of ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate?
The InChIKey is SRMXOCTUUNFOQU-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-15(17)14-12(2)19-10-9-16(14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate?
ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate is sourced from PubChem (CID 86651574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).