3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid

C13H15NO5 — CID 69005272

IUPAC3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1C(=O)COCC1COCc1ccccc1
InChIInChI=1S/C13H15NO5/c15-12-9-19-8-11(14(12)13(16)17)7-18-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyMOCSLLCXFUSTSU-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.11
Rot. Bonds4

About 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid

3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid (PubChem CID 69005272) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
PubChem CID69005272
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1C(=O)COCC1COCc1ccccc1
InChIInChI=1S/C13H15NO5/c15-12-9-19-8-11(14(12)13(16)17)7-18-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyMOCSLLCXFUSTSU-UHFFFAOYSA-N
XLogP1.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid
CID 68631273
tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 67373012
4-(phenylmethoxymethyl)oxathiazolidine-3-carboxylic acid
CID 135371846
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11002753
6-(phenylmethoxymethyl)-4-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 175256880
(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
CID 164630999
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
CID 10022740
tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
CID 77297161
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328

Frequently Asked Questions

What is the IUPAC name of 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
The IUPAC name of 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid (CID 69005272) is 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
The canonical SMILES for 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid is O=C(O)N1C(=O)COCC1COCc1ccccc1.
What is the InChIKey of 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
The InChIKey is MOCSLLCXFUSTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12-9-19-8-11(14(12)13(16)17)7-18-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17).
What are the key properties of 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid?
3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 69005272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).