4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid

C14H15NO4 — CID 66394346

IUPAC4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2Cc3ccccc32)CCO1
InChIInChI=1S/C14H15NO4/c16-13(11-7-9-3-1-2-4-10(9)11)15-5-6-19-12(8-15)14(17)18/h1-4,11-12H,5-8H2,(H,17,18)
InChIKeyXODLHTNKBUUNRA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.64
Rot. Bonds2

About 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid

4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid (PubChem CID 66394346) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid
PubChem CID66394346
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2Cc3ccccc32)CCO1
InChIInChI=1S/C14H15NO4/c16-13(11-7-9-3-1-2-4-10(9)11)15-5-6-19-12(8-15)14(17)18/h1-4,11-12H,5-8H2,(H,17,18)
InChIKeyXODLHTNKBUUNRA-UHFFFAOYSA-N
XLogP0.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66395557
(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
CID 129366605
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
CID 66395152
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580377
4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid
CID 65067081
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66396346
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
3-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperazin-1-yl]propanoic acid
CID 66396669

Frequently Asked Questions

What is the IUPAC name of 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid (CID 66394346) is 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2Cc3ccccc32)CCO1.
What is the InChIKey of 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is XODLHTNKBUUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-13(11-7-9-3-1-2-4-10(9)11)15-5-6-19-12(8-15)14(17)18/h1-4,11-12H,5-8H2,(H,17,18).
What are the key properties of 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid?
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 66394346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).