4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid

C14H19NO4 — CID 102933176

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N1CC(C)OC(CO)C1
InChIInChI=1S/C14H19NO4/c1-9-5-11(14(17)18)3-4-13(9)15-6-10(2)19-12(7-15)8-16/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyNCCHZPFLZFUAEG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds3

About 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid (PubChem CID 102933176) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
PubChem CID102933176
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N1CC(C)OC(CO)C1
InChIInChI=1S/C14H19NO4/c1-9-5-11(14(17)18)3-4-13(9)15-6-10(2)19-12(7-15)8-16/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyNCCHZPFLZFUAEG-UHFFFAOYSA-N
XLogP1.28
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114537327
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102935226
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 102932795
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
CID 102931949
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448
[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
CID 102935110
4-(1,4-diazepan-1-yl)-3-methylbenzoic acid
CID 63212719
3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
CID 62121474

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid (CID 102933176) is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1N1CC(C)OC(CO)C1.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid?
The InChIKey is NCCHZPFLZFUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-5-11(14(17)18)3-4-13(9)15-6-10(2)19-12(7-15)8-16/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid?
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid is sourced from PubChem (CID 102933176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).