4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid

C14H17NO4 — CID 103925683

IUPAC4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
SMILESCc1cccc(C)c1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H17NO4/c1-9-4-3-5-10(2)12(9)13(16)15-6-7-19-11(8-15)14(17)18/h3-5,11H,6-8H2,1-2H3,(H,17,18)
InChIKeyKKHZYYKNZPLZGS-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.23
Rot. Bonds2

About 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid

4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid (PubChem CID 103925683) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
PubChem CID103925683
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
SMILESCc1cccc(C)c1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H17NO4/c1-9-4-3-5-10(2)12(9)13(16)15-6-7-19-11(8-15)14(17)18/h3-5,11H,6-8H2,1-2H3,(H,17,18)
InChIKeyKKHZYYKNZPLZGS-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239343
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 119358036
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124610786
4-(2,4,6-trimethylbenzoyl)morpholine-2-carbothioamide
CID 79674045
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid (CID 103925683) is 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid is Cc1cccc(C)c1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid?
The InChIKey is KKHZYYKNZPLZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-4-3-5-10(2)12(9)13(16)15-6-7-19-11(8-15)14(17)18/h3-5,11H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid?
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 103925683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).