2-(dimethylamino)ethaneperoxoic acid

C4H9NO3 — CID 175345912

IUPAC2-(dimethylamino)ethaneperoxoic acid
SMILESCN(C)CC(=O)OO
InChIInChI=1S/C4H9NO3/c1-5(2)3-4(6)8-7/h7H,3H2,1-2H3
InChIKeyDLNRCSWRBNLHEH-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.44
Rot. Bonds2

About 2-(dimethylamino)ethaneperoxoic acid

2-(dimethylamino)ethaneperoxoic acid (PubChem CID 175345912) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-(dimethylamino)ethaneperoxoic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethaneperoxoic acid
PubChem CID175345912
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-(dimethylamino)ethaneperoxoic acid
SMILESCN(C)CC(=O)OO
InChIInChI=1S/C4H9NO3/c1-5(2)3-4(6)8-7/h7H,3H2,1-2H3
InChIKeyDLNRCSWRBNLHEH-UHFFFAOYSA-N
XLogP-0.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.44
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

2-(diethylamino)ethaneperoxoic acid
CID 57104858
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
CID 68807016
2-oxoethyl 2-(dimethylamino)acetate
CID 142750400
butan-2-yl 2-(dimethylamino)acetate
CID 134215874
3-aminopropyl 2-(dimethylamino)acetate
CID 45082355
butyl 2-(dimethylamino)acetate;methane
CID 157088664
2-(dimethylamino)acetyl chloride
CID 7010344
azane;2-(dimethylamino)acetic acid
CID 172828475
(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate
CID 89459514
sodium 2-(dimethylamino)acetate
CID 23695761

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethaneperoxoic acid?
The IUPAC name of 2-(dimethylamino)ethaneperoxoic acid (CID 175345912) is 2-(dimethylamino)ethaneperoxoic acid.
What is the SMILES notation for 2-(dimethylamino)ethaneperoxoic acid?
The canonical SMILES for 2-(dimethylamino)ethaneperoxoic acid is CN(C)CC(=O)OO.
What is the InChIKey of 2-(dimethylamino)ethaneperoxoic acid?
The InChIKey is DLNRCSWRBNLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-5(2)3-4(6)8-7/h7H,3H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethaneperoxoic acid?
2-(dimethylamino)ethaneperoxoic acid has a molecular weight of 119.12 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethaneperoxoic acid is sourced from PubChem (CID 175345912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).