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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Related Compounds

(2R)-2-tert-butyl-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylic acid
CID 68600600
(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid
CID 118141554
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
CID 86983017
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
(2S)-2-tert-butyl-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66861410
bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
CID 124573817

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).