tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate

C16H20FNO5 — CID 58181490

IUPACtert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO5/c1-16(2,3)23-15(21)12(19)13-14(20)18(8-9-22-13)11-6-4-10(17)5-7-11/h4-7,12-13,19H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyZLOIUTJYSOSKKV-CHWSQXEVSA-N
MW325.34 g/mol
LogP1.26
Rot. Bonds3

About tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate

tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate (PubChem CID 58181490) has the molecular formula C16H20FNO5 and a molecular weight of 325.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate
PubChem CID58181490
Molecular FormulaC16H20FNO5
Molecular Weight325.34 g/mol
Exact Mass325.13
IUPAC Nametert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO5/c1-16(2,3)23-15(21)12(19)13-14(20)18(8-9-22-13)11-6-4-10(17)5-7-11/h4-7,12-13,19H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyZLOIUTJYSOSKKV-CHWSQXEVSA-N
XLogP1.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate (CID 58181490) is tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The InChIKey is ZLOIUTJYSOSKKV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20FNO5/c1-16(2,3)23-15(21)12(19)13-14(20)18(8-9-22-13)11-6-4-10(17)5-7-11/h4-7,12-13,19H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate has a molecular weight of 325.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-4-(4-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 58181490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).