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

C17H23NO4 — CID 119248442

IUPAC2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCc1ccccc1C(C)(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H23NO4/c1-12-6-4-5-7-14(12)17(2,3)16(21)18-8-9-22-13(11-18)10-15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)
InChIKeyMIJDQLGHMTXQOJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.97
Rot. Bonds4

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

2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248442) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248442
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCc1ccccc1C(C)(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H23NO4/c1-12-6-4-5-7-14(12)17(2,3)16(21)18-8-9-22-13(11-18)10-15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)
InChIKeyMIJDQLGHMTXQOJ-UHFFFAOYSA-N
XLogP1.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
CID 119249045
2-[(2S)-4-(2,2-dimethylbutanoyl)morpholin-2-yl]acetic acid
CID 124515405
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
2-[4-[3-[2-(trifluoromethyl)phenyl]but-2-enoyl]morpholin-2-yl]acetic acid
CID 126771960
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid (CID 119248442) is 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid is Cc1ccccc1C(C)(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is MIJDQLGHMTXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12-6-4-5-7-14(12)17(2,3)16(21)18-8-9-22-13(11-18)10-15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).