5-methyl-2-morpholin-4-ylbenzoic acid

C12H15NO3 — CID 62516703

IUPAC5-methyl-2-morpholin-4-ylbenzoic acid
SMILESCc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-9-2-3-11(10(8-9)12(14)15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyFMUWBRPNKXAHAL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.53
Rot. Bonds2

About 5-methyl-2-morpholin-4-ylbenzoic acid

5-methyl-2-morpholin-4-ylbenzoic acid (PubChem CID 62516703) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methyl-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-methyl-2-morpholin-4-ylbenzoic acid
PubChem CID62516703
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-methyl-2-morpholin-4-ylbenzoic acid
SMILESCc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-9-2-3-11(10(8-9)12(14)15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyFMUWBRPNKXAHAL-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978
5-methyl-2-(3-methylazetidin-1-yl)benzoic acid
CID 79687790
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
CID 46292237
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
5-methyl-2-morpholin-4-ylaniline
CID 18952141
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-(2-azaspiro[3.3]heptan-2-yl)-5-methylbenzoic acid
CID 79687789
2-(3,3-diethylazetidin-1-yl)-5-methylbenzoic acid
CID 79687578

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-methyl-2-morpholin-4-ylbenzoic acid (CID 62516703) is 5-methyl-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-methyl-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-methyl-2-morpholin-4-ylbenzoic acid is Cc1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-morpholin-4-ylbenzoic acid?
The InChIKey is FMUWBRPNKXAHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-2-3-11(10(8-9)12(14)15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-morpholin-4-ylbenzoic acid?
5-methyl-2-morpholin-4-ylbenzoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 62516703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).