ethyl 2-amino-2-hydroxypropaneperoxoate

C5H11NO4 — CID 175313861

IUPACethyl 2-amino-2-hydroxypropaneperoxoate
SMILESCCOOC(=O)C(C)(N)O
InChIInChI=1S/C5H11NO4/c1-3-9-10-4(7)5(2,6)8/h8H,3,6H2,1-2H3
InChIKeyQNASLOYXCHDUIA-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.85
Rot. Bonds3

About ethyl 2-amino-2-hydroxypropaneperoxoate

ethyl 2-amino-2-hydroxypropaneperoxoate (PubChem CID 175313861) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is ethyl 2-amino-2-hydroxypropaneperoxoate.

Molecular Properties

Compound Nameethyl 2-amino-2-hydroxypropaneperoxoate
PubChem CID175313861
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Nameethyl 2-amino-2-hydroxypropaneperoxoate
SMILESCCOOC(=O)C(C)(N)O
InChIInChI=1S/C5H11NO4/c1-3-9-10-4(7)5(2,6)8/h8H,3,6H2,1-2H3
InChIKeyQNASLOYXCHDUIA-UHFFFAOYSA-N
XLogP-0.85
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chlorophosphonic acid;ethyl 2-amino-2-methylpropaneperoxoate
CID 88924816
ethyl 2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
CID 140539209
magnesium;ethoxy ethyl carbonate;hydride
CID 173249184
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethoxy propan-2-yl carbonate
CID 21290921
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-hydroxypropaneperoxoate?
The IUPAC name of ethyl 2-amino-2-hydroxypropaneperoxoate (CID 175313861) is ethyl 2-amino-2-hydroxypropaneperoxoate.
What is the SMILES notation for ethyl 2-amino-2-hydroxypropaneperoxoate?
The canonical SMILES for ethyl 2-amino-2-hydroxypropaneperoxoate is CCOOC(=O)C(C)(N)O.
What is the InChIKey of ethyl 2-amino-2-hydroxypropaneperoxoate?
The InChIKey is QNASLOYXCHDUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-3-9-10-4(7)5(2,6)8/h8H,3,6H2,1-2H3.
What are the key properties of ethyl 2-amino-2-hydroxypropaneperoxoate?
ethyl 2-amino-2-hydroxypropaneperoxoate has a molecular weight of 149.15 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-hydroxypropaneperoxoate is sourced from PubChem (CID 175313861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).