2,2-diphenylmorpholine-4-carboxylic acid

C17H17NO3 — CID 57298825

IUPAC2,2-diphenylmorpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C17H17NO3/c19-16(20)18-11-12-21-17(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20)
InChIKeyYSSGUJPNMSMSDF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.94
Rot. Bonds2

About 2,2-diphenylmorpholine-4-carboxylic acid

2,2-diphenylmorpholine-4-carboxylic acid (PubChem CID 57298825) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,2-diphenylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name2,2-diphenylmorpholine-4-carboxylic acid
PubChem CID57298825
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,2-diphenylmorpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C17H17NO3/c19-16(20)18-11-12-21-17(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20)
InChIKeyYSSGUJPNMSMSDF-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylmorpholine-4-carboxylic acid?
The IUPAC name of 2,2-diphenylmorpholine-4-carboxylic acid (CID 57298825) is 2,2-diphenylmorpholine-4-carboxylic acid.
What is the SMILES notation for 2,2-diphenylmorpholine-4-carboxylic acid?
The canonical SMILES for 2,2-diphenylmorpholine-4-carboxylic acid is O=C(O)N1CCOC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 2,2-diphenylmorpholine-4-carboxylic acid?
The InChIKey is YSSGUJPNMSMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(20)18-11-12-21-17(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20).
What are the key properties of 2,2-diphenylmorpholine-4-carboxylic acid?
2,2-diphenylmorpholine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylmorpholine-4-carboxylic acid is sourced from PubChem (CID 57298825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).