tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate

C16H22N2O4 — CID 123673146

IUPACtert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2ccc(CN=O)cc2)C1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(19)18-8-9-21-14(11-18)13-6-4-12(5-7-13)10-17-20/h4-7,14H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyDDCRMSOPUOIFBS-AWEZNQCLSA-N
MW306.36 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate (PubChem CID 123673146) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
PubChem CID123673146
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2ccc(CN=O)cc2)C1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(19)18-8-9-21-14(11-18)13-6-4-12(5-7-13)10-17-20/h4-7,14H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyDDCRMSOPUOIFBS-AWEZNQCLSA-N
XLogP3.26
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
CID 90054409
CID 90054409
tert-butyl (2S)-2-[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]morpholine-4-carboxylate
CID 66705835
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl 2-(4-aminophenyl)morpholine-4-carboxylate;tert-butyl 2-(4-aminophenyl)piperidine-1-carboxylate;tert-butyl 2-(4-aminophenyl)pyrrolidine-1-carboxylate
CID 160578774
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl 2-[4-(2-cyanoacetyl)-3-methoxyphenyl]morpholine-4-carboxylate
CID 123778325

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate (CID 123673146) is tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(CN=O)cc2)C1.
What is the InChIKey of tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate?
The InChIKey is DDCRMSOPUOIFBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,3)22-15(19)18-8-9-21-14(11-18)13-6-4-12(5-7-13)10-17-20/h4-7,14H,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate is sourced from PubChem (CID 123673146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).