(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid

C14H17NO4 — CID 139598441

IUPAC(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
SMILESCC(C)N1C(=O)CO[C@H](C(=O)O)[C@H]1c1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(2)15-11(16)8-19-13(14(17)18)12(15)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyYRGVECSNUCSHIR-OLZOCXBDSA-N
MW263.29 g/mol
LogP1.45
Rot. Bonds3

About (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid

(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid (PubChem CID 139598441) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
PubChem CID139598441
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
SMILESCC(C)N1C(=O)CO[C@H](C(=O)O)[C@H]1c1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(2)15-11(16)8-19-13(14(17)18)12(15)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyYRGVECSNUCSHIR-OLZOCXBDSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid?
The IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid (CID 139598441) is (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid is CC(C)N1C(=O)CO[C@H](C(=O)O)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid?
The InChIKey is YRGVECSNUCSHIR-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(2)15-11(16)8-19-13(14(17)18)12(15)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid?
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid is sourced from PubChem (CID 139598441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).