2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid

C15H21NO4 — CID 102933414

IUPAC2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
SMILESCC1CN(Cc2ccc(CC(=O)O)cc2)CC(CO)O1
InChIInChI=1S/C15H21NO4/c1-11-7-16(9-14(10-17)20-11)8-13-4-2-12(3-5-13)6-15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)
InChIKeyUFTBKIVJGYPJCA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.90
Rot. Bonds5

About 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid

2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid (PubChem CID 102933414) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
PubChem CID102933414
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
SMILESCC1CN(Cc2ccc(CC(=O)O)cc2)CC(CO)O1
InChIInChI=1S/C15H21NO4/c1-11-7-16(9-14(10-17)20-11)8-13-4-2-12(3-5-13)6-15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)
InChIKeyUFTBKIVJGYPJCA-UHFFFAOYSA-N
XLogP0.90
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758638
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102932091
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methyl-N-phenylacetamide
CID 102935696
2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
CID 102936812
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid (CID 102933414) is 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid is CC1CN(Cc2ccc(CC(=O)O)cc2)CC(CO)O1.
What is the InChIKey of 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid?
The InChIKey is UFTBKIVJGYPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-7-16(9-14(10-17)20-11)8-13-4-2-12(3-5-13)6-15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid?
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 102933414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).