2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid

C14H19NO4 — CID 81204463

IUPAC2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
SMILESCC1COC(CO)CN1Cc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-10-9-19-12(8-16)7-15(10)6-11-4-2-3-5-13(11)14(17)18/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyVHZNMPUQGPHJQY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.97
Rot. Bonds4

About 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid

2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid (PubChem CID 81204463) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
PubChem CID81204463
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
SMILESCC1COC(CO)CN1Cc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-10-9-19-12(8-16)7-15(10)6-11-4-2-3-5-13(11)14(17)18/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyVHZNMPUQGPHJQY-UHFFFAOYSA-N
XLogP0.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
1-(2-bromophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81212923
4-[2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208141
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
CID 97153592
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
2,5-dimethyl-4-[(2-methylphenyl)methyl]morpholine
CID 75808664
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol
CID 81219773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid (CID 81204463) is 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid is CC1COC(CO)CN1Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid?
The InChIKey is VHZNMPUQGPHJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-9-19-12(8-16)7-15(10)6-11-4-2-3-5-13(11)14(17)18/h2-5,10,12,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid?
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 81204463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).