2-morpholin-4-yl-2-oxoacetic acid

C6H9NO4 — CID 15401443

IUPAC2-morpholin-4-yl-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCOCC1
InChIInChI=1S/C6H9NO4/c8-5(6(9)10)7-1-3-11-4-2-7/h1-4H2,(H,9,10)
InChIKeyPNEYYXXAPCEGCL-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.07
Rot. Bonds

About 2-morpholin-4-yl-2-oxoacetic acid

2-morpholin-4-yl-2-oxoacetic acid (PubChem CID 15401443) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-oxoacetic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-2-oxoacetic acid
PubChem CID15401443
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-morpholin-4-yl-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCOCC1
InChIInChI=1S/C6H9NO4/c8-5(6(9)10)7-1-3-11-4-2-7/h1-4H2,(H,9,10)
InChIKeyPNEYYXXAPCEGCL-UHFFFAOYSA-N
XLogP-1.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-1-(morpholin-4-yl)ethan-1-one
CID 6480484
2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
2-(3-Oxomorpholin-4-yl)propanoic acid
CID 79468110
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
Acetoxyacetic acid, morpholide
CID 531940
4-Methyl-morpholine-2,3-dione
CID 11137188
[(2R,6S)-2,6-Dimethylmorpholin-4-YL](oxo)acetic acid
CID 12051430
N-methyl-2,5-morpholinedione
CID 20463711
4-(2-Hydroxyethyl)morpholine-2,3-dione
CID 458488
2-(3,5-Dioxomorpholin-4-yl)-2-fluoroacetic acid
CID 81297898
2-Fluoro-2-(3-oxomorpholin-4-yl)acetic acid
CID 81297923
Ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate
CID 81297924

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-oxoacetic acid?
The IUPAC name of 2-morpholin-4-yl-2-oxoacetic acid (CID 15401443) is 2-morpholin-4-yl-2-oxoacetic acid.
What is the SMILES notation for 2-morpholin-4-yl-2-oxoacetic acid?
The canonical SMILES for 2-morpholin-4-yl-2-oxoacetic acid is O=C(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-oxoacetic acid?
The InChIKey is PNEYYXXAPCEGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5(6(9)10)7-1-3-11-4-2-7/h1-4H2,(H,9,10).
What are the key properties of 2-morpholin-4-yl-2-oxoacetic acid?
2-morpholin-4-yl-2-oxoacetic acid has a molecular weight of 159.14 g/mol, XLogP of -1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-oxoacetic acid is sourced from PubChem (CID 15401443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).