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

C8H13NO5 — CID 81208191

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
SMILESCC1COC(CO)CN1C(=O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5-4-14-6(3-10)2-9(5)7(11)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeyDHVBBEJRQLNTJF-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.32
Rot. Bonds1

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

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid (PubChem CID 81208191) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
PubChem CID81208191
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
SMILESCC1COC(CO)CN1C(=O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5-4-14-6(3-10)2-9(5)7(11)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeyDHVBBEJRQLNTJF-UHFFFAOYSA-N
XLogP-1.32
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 81203659
3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 81204807

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid (CID 81208191) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid is CC1COC(CO)CN1C(=O)C(=O)O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid?
The InChIKey is DHVBBEJRQLNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-5-4-14-6(3-10)2-9(5)7(11)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid has a molecular weight of 203.19 g/mol, XLogP of -1.32, 1 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]-2-oxoacetic acid is sourced from PubChem (CID 81208191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).