benzyl 2-oxo-3-phenylmorpholine-4-carboxylate

C18H17NO4 — CID 10946862

IUPACbenzyl 2-oxo-3-phenylmorpholine-4-carboxylate
SMILESO=C1OCCN(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-16(15-9-5-2-6-10-15)19(11-12-22-17)18(21)23-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyLGRKTPUWLDJQTJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.92
Rot. Bonds3

About benzyl 2-oxo-3-phenylmorpholine-4-carboxylate

benzyl 2-oxo-3-phenylmorpholine-4-carboxylate (PubChem CID 10946862) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is benzyl 2-oxo-3-phenylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-3-phenylmorpholine-4-carboxylate
PubChem CID10946862
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namebenzyl 2-oxo-3-phenylmorpholine-4-carboxylate
SMILESO=C1OCCN(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-16(15-9-5-2-6-10-15)19(11-12-22-17)18(21)23-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyLGRKTPUWLDJQTJ-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
benzyl (1S,5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 10658069
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
benzyl (3R)-3-ethynylmorpholine-4-carboxylate
CID 88963201
benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate
CID 155821015

Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-3-phenylmorpholine-4-carboxylate?
The IUPAC name of benzyl 2-oxo-3-phenylmorpholine-4-carboxylate (CID 10946862) is benzyl 2-oxo-3-phenylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-oxo-3-phenylmorpholine-4-carboxylate?
The canonical SMILES for benzyl 2-oxo-3-phenylmorpholine-4-carboxylate is O=C1OCCN(C(=O)OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of benzyl 2-oxo-3-phenylmorpholine-4-carboxylate?
The InChIKey is LGRKTPUWLDJQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17-16(15-9-5-2-6-10-15)19(11-12-22-17)18(21)23-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of benzyl 2-oxo-3-phenylmorpholine-4-carboxylate?
benzyl 2-oxo-3-phenylmorpholine-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-3-phenylmorpholine-4-carboxylate is sourced from PubChem (CID 10946862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).