2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid

C15H19NO4 — CID 66433602

IUPAC2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1C
InChIInChI=1S/C15H19NO4/c1-10-3-4-12(7-11(10)2)15(19)16-5-6-20-13(9-16)8-14(17)18/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyYPGUOTFBDPTZSO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 66433602) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID66433602
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1C
InChIInChI=1S/C15H19NO4/c1-10-3-4-12(7-11(10)2)15(19)16-5-6-20-13(9-16)8-14(17)18/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyYPGUOTFBDPTZSO-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119248398

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid (CID 66433602) is 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid is Cc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is YPGUOTFBDPTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-4-12(7-11(10)2)15(19)16-5-6-20-13(9-16)8-14(17)18/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).