2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid

C14H19NO3 — CID 70846219

IUPAC2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
SMILESCc1ccc(CCN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-11-2-3-12(10-13(11)14(16)17)4-5-15-6-8-18-9-7-15/h2-3,10H,4-9H2,1H3,(H,16,17)
InChIKeyBPDFONYNVRQABZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid

2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid (PubChem CID 70846219) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
PubChem CID70846219
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
SMILESCc1ccc(CCN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-11-2-3-12(10-13(11)14(16)17)4-5-15-6-8-18-9-7-15/h2-3,10H,4-9H2,1H3,(H,16,17)
InChIKeyBPDFONYNVRQABZ-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide
CID 89133892
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
methane;4-(2-phenylethyl)morpholine
CID 143698819
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
CID 55979378
6-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxylic acid
CID 55125700

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid?
The IUPAC name of 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid (CID 70846219) is 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid?
The canonical SMILES for 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid is Cc1ccc(CCN2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid?
The InChIKey is BPDFONYNVRQABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-2-3-12(10-13(11)14(16)17)4-5-15-6-8-18-9-7-15/h2-3,10H,4-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid?
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid is sourced from PubChem (CID 70846219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).