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

C18H29N3O5 — CID 168820087

IUPACtert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
SMILESCC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C18H29N3O5/c1-17(2,3)9-12-10-20(16(24)26-18(4,5)6)11-14(25-12)21-8-7-13(22)19-15(21)23/h7-8,12,14H,9-11H2,1-6H3,(H,19,22,23)/t12-,14-/m1/s1
InChIKeyDDXRSNXAMHQXJY-TZMCWYRMSA-N
MW367.45 g/mol
LogP2.11
Rot. Bonds2

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

tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate (PubChem CID 168820087) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
PubChem CID168820087
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Nametert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate
SMILESCC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C18H29N3O5/c1-17(2,3)9-12-10-20(16(24)26-18(4,5)6)11-14(25-12)21-8-7-13(22)19-15(21)23/h7-8,12,14H,9-11H2,1-6H3,(H,19,22,23)/t12-,14-/m1/s1
InChIKeyDDXRSNXAMHQXJY-TZMCWYRMSA-N
XLogP2.11
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.11
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-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate (CID 168820087) is tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate is CC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
The InChIKey is DDXRSNXAMHQXJY-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-17(2,3)9-12-10-20(16(24)26-18(4,5)6)11-14(25-12)21-8-7-13(22)19-15(21)23/h7-8,12,14H,9-11H2,1-6H3,(H,19,22,23)/t12-,14-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate?
tert-butyl (2R,6R)-2-(2,2-dimethylpropyl)-6-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.11, 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-(2,4-dioxopyrimidin-1-yl)morpholine-4-carboxylate is sourced from PubChem (CID 168820087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).