3,5-dibenzylmorpholine-4-carboxylic acid

C19H21NO3 — CID 174864328

IUPAC3,5-dibenzylmorpholine-4-carboxylic acid
SMILESO=C(O)N1C(Cc2ccccc2)COCC1Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(22)20-17(11-15-7-3-1-4-8-15)13-23-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22)
InChIKeyVYGIFQGBOBUPKS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.22
Rot. Bonds4

About 3,5-dibenzylmorpholine-4-carboxylic acid

3,5-dibenzylmorpholine-4-carboxylic acid (PubChem CID 174864328) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3,5-dibenzylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dibenzylmorpholine-4-carboxylic acid
PubChem CID174864328
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3,5-dibenzylmorpholine-4-carboxylic acid
SMILESO=C(O)N1C(Cc2ccccc2)COCC1Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(22)20-17(11-15-7-3-1-4-8-15)13-23-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22)
InChIKeyVYGIFQGBOBUPKS-UHFFFAOYSA-N
XLogP3.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
CID 10545000
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
(E)-1-[(2S,4S)-2,4-dibenzyl-1,3-oxazolidin-3-yl]but-2-en-1-one
CID 139054022
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
4-benzyloxolan-3-ol
CID 14785279

Frequently Asked Questions

What is the IUPAC name of 3,5-dibenzylmorpholine-4-carboxylic acid?
The IUPAC name of 3,5-dibenzylmorpholine-4-carboxylic acid (CID 174864328) is 3,5-dibenzylmorpholine-4-carboxylic acid.
What is the SMILES notation for 3,5-dibenzylmorpholine-4-carboxylic acid?
The canonical SMILES for 3,5-dibenzylmorpholine-4-carboxylic acid is O=C(O)N1C(Cc2ccccc2)COCC1Cc1ccccc1.
What is the InChIKey of 3,5-dibenzylmorpholine-4-carboxylic acid?
The InChIKey is VYGIFQGBOBUPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(22)20-17(11-15-7-3-1-4-8-15)13-23-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22).
What are the key properties of 3,5-dibenzylmorpholine-4-carboxylic acid?
3,5-dibenzylmorpholine-4-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibenzylmorpholine-4-carboxylic acid is sourced from PubChem (CID 174864328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).