2-methylmorpholine-4-carboperoxoic acid

C6H11NO4 — CID 175134730

IUPAC2-methylmorpholine-4-carboperoxoic acid
SMILESCC1CN(C(=O)OO)CCO1
InChIInChI=1S/C6H11NO4/c1-5-4-7(2-3-10-5)6(8)11-9/h5,9H,2-4H2,1H3
InChIKeyQWCYYXXJLAMMMW-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.32
Rot. Bonds

About 2-methylmorpholine-4-carboperoxoic acid

2-methylmorpholine-4-carboperoxoic acid (PubChem CID 175134730) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methylmorpholine-4-carboperoxoic acid.

Molecular Properties

Compound Name2-methylmorpholine-4-carboperoxoic acid
PubChem CID175134730
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-methylmorpholine-4-carboperoxoic acid
SMILESCC1CN(C(=O)OO)CCO1
InChIInChI=1S/C6H11NO4/c1-5-4-7(2-3-10-5)6(8)11-9/h5,9H,2-4H2,1H3
InChIKeyQWCYYXXJLAMMMW-UHFFFAOYSA-N
XLogP0.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
ethane;ethyl 2-methylmorpholine-4-carboxylate;1-(2-methylmorpholin-4-yl)ethanone
CID 142506690
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
CID 60893749
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
(2-aminocyclopropyl)-(2-methylmorpholin-4-yl)methanone
CID 114995835
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710

Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholine-4-carboperoxoic acid?
The IUPAC name of 2-methylmorpholine-4-carboperoxoic acid (CID 175134730) is 2-methylmorpholine-4-carboperoxoic acid.
What is the SMILES notation for 2-methylmorpholine-4-carboperoxoic acid?
The canonical SMILES for 2-methylmorpholine-4-carboperoxoic acid is CC1CN(C(=O)OO)CCO1.
What is the InChIKey of 2-methylmorpholine-4-carboperoxoic acid?
The InChIKey is QWCYYXXJLAMMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-5-4-7(2-3-10-5)6(8)11-9/h5,9H,2-4H2,1H3.
What are the key properties of 2-methylmorpholine-4-carboperoxoic acid?
2-methylmorpholine-4-carboperoxoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholine-4-carboperoxoic acid is sourced from PubChem (CID 175134730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).