2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid

C14H17NO4 — CID 115068225

IUPAC2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid
SMILESCc1cccc(N2CC(C)(CC(=O)O)OCC2=O)c1
InChIInChI=1S/C14H17NO4/c1-10-4-3-5-11(6-10)15-9-14(2,7-13(17)18)19-8-12(15)16/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyBQKDWWPAHFVJTH-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.59
Rot. Bonds3

About 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid

2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid (PubChem CID 115068225) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid
PubChem CID115068225
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid
SMILESCc1cccc(N2CC(C)(CC(=O)O)OCC2=O)c1
InChIInChI=1S/C14H17NO4/c1-10-4-3-5-11(6-10)15-9-14(2,7-13(17)18)19-8-12(15)16/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyBQKDWWPAHFVJTH-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-6-methyl-4-(3-methylphenyl)morpholin-3-one
CID 115068016
6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115067682
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013143
2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
CID 115068259
4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
CID 67104716
6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115068137
4,10,16,22-tetrakis(3-methylphenyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-3,11,15,23-tetrone
CID 100991495
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
CID 115067563
4-(3-methylphenyl)-8-pyrimidin-4-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740875
2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131662035
2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
CID 82158605
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid (CID 115068225) is 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid is Cc1cccc(N2CC(C)(CC(=O)O)OCC2=O)c1.
What is the InChIKey of 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid?
The InChIKey is BQKDWWPAHFVJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-4-3-5-11(6-10)15-9-14(2,7-13(17)18)19-8-12(15)16/h3-6H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid?
2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 115068225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).