2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid

C15H19NO4 — CID 66421746

IUPAC2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1ccccc1CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-11-4-2-3-5-12(11)8-14(17)16-6-7-20-13(10-16)9-15(18)19/h2-5,13H,6-10H2,1H3,(H,18,19)
InChIKeyKMGJNSSMCQABGU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 66421746) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
PubChem CID66421746
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1ccccc1CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-11-4-2-3-5-12(11)8-14(17)16-6-7-20-13(10-16)9-15(18)19/h2-5,13H,6-10H2,1H3,(H,18,19)
InChIKeyKMGJNSSMCQABGU-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125132186
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid (CID 66421746) is 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid is Cc1ccccc1CC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is KMGJNSSMCQABGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-4-2-3-5-12(11)8-14(17)16-6-7-20-13(10-16)9-15(18)19/h2-5,13H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).