tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate

C14H20N2O3 — CID 176629684

IUPACtert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
SMILES[2H]c1ccnc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-8-9-18-12(10-16)11-6-4-5-7-15-11/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1/i4D
InChIKeyCFDMWOSYXRILAB-YXONOVAPSA-N
MW265.33 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate

tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate (PubChem CID 176629684) has the molecular formula C14H20N2O3 and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
PubChem CID176629684
Molecular FormulaC14H20N2O3
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nametert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
SMILES[2H]c1ccnc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-8-9-18-12(10-16)11-6-4-5-7-15-11/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1/i4D
InChIKeyCFDMWOSYXRILAB-YXONOVAPSA-N
XLogP2.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
CID 152901440
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
CID 118485004

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate (CID 176629684) is tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate is [2H]c1ccnc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1.
What is the InChIKey of tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate?
The InChIKey is CFDMWOSYXRILAB-YXONOVAPSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-8-9-18-12(10-16)11-6-4-5-7-15-11/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1/i4D.
What are the key properties of tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate?
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate is sourced from PubChem (CID 176629684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).