tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate

C19H31N3O5 — CID 168820196

IUPACtert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
SMILESCc1cn([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H31N3O5/c1-12-9-22(16(24)20-15(12)23)14-11-21(17(25)27-19(5,6)7)10-13(26-14)8-18(2,3)4/h9,13-14H,8,10-11H2,1-7H3,(H,20,23,24)/t13-,14-/m1/s1
InChIKeyGITVWEKKUXPUBT-ZIAGYGMSSA-N
MW381.47 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate

tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate (PubChem CID 168820196) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
PubChem CID168820196
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Nametert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
SMILESCc1cn([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H31N3O5/c1-12-9-22(16(24)20-15(12)23)14-11-21(17(25)27-19(5,6)7)10-13(26-14)8-18(2,3)4/h9,13-14H,8,10-11H2,1-7H3,(H,20,23,24)/t13-,14-/m1/s1
InChIKeyGITVWEKKUXPUBT-ZIAGYGMSSA-N
XLogP2.42
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate (CID 168820196) is tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate is Cc1cn([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](CC(C)(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
The InChIKey is GITVWEKKUXPUBT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-12-9-22(16(24)20-15(12)23)14-11-21(17(25)27-19(5,6)7)10-13(26-14)8-18(2,3)4/h9,13-14H,8,10-11H2,1-7H3,(H,20,23,24)/t13-,14-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate has a molecular weight of 381.47 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate is sourced from PubChem (CID 168820196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).