2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid

C8H13NO4 — CID 12051430

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid
SMILESC[C@@H]1CN(C(=O)C(=O)O)C[C@H](C)O1
InChIInChI=1S/C8H13NO4/c1-5-3-9(4-6(2)13-5)7(10)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6+
InChIKeyIEUSEOAYOAACGX-OLQVQODUSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid (PubChem CID 12051430) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid
PubChem CID12051430
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid
SMILESC[C@@H]1CN(C(=O)C(=O)O)C[C@H](C)O1
InChIInChI=1S/C8H13NO4/c1-5-3-9(4-6(2)13-5)7(10)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6+
InChIKeyIEUSEOAYOAACGX-OLQVQODUSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid (CID 12051430) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid is C[C@@H]1CN(C(=O)C(=O)O)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid?
The InChIKey is IEUSEOAYOAACGX-OLQVQODUSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5-3-9(4-6(2)13-5)7(10)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/t5-,6+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetic acid is sourced from PubChem (CID 12051430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).