2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid

C13H15NO5 — CID 115062361

IUPAC2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid
SMILESCOc1ccccc1CC1OCC(=O)NC1C(=O)O
InChIInChI=1S/C13H15NO5/c1-18-9-5-3-2-4-8(9)6-10-12(13(16)17)14-11(15)7-19-10/h2-5,10,12H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCJEJPGDOXGNHJM-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.21
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid

2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid (PubChem CID 115062361) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid
PubChem CID115062361
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid
SMILESCOc1ccccc1CC1OCC(=O)NC1C(=O)O
InChIInChI=1S/C13H15NO5/c1-18-9-5-3-2-4-8(9)6-10-12(13(16)17)14-11(15)7-19-10/h2-5,10,12H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCJEJPGDOXGNHJM-UHFFFAOYSA-N
XLogP0.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115062355
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10705020
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
CID 68882474
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 112716859
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid (CID 115062361) is 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid is COc1ccccc1CC1OCC(=O)NC1C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
The InChIKey is CJEJPGDOXGNHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-9-5-3-2-4-8(9)6-10-12(13(16)17)14-11(15)7-19-10/h2-5,10,12H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid is sourced from PubChem (CID 115062361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).