methyl 2-amino-2-methylpropaneperoxoate;hydrochloride

C5H12ClNO3 — CID 175031263

IUPACmethyl 2-amino-2-methylpropaneperoxoate;hydrochloride
SMILESCOOC(=O)C(C)(C)N.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-5(2,6)4(7)9-8-3;/h6H2,1-3H3;1H
InChIKeyONPXMRGVTUZGSR-UHFFFAOYSA-N
MW169.61 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-amino-2-methylpropaneperoxoate;hydrochloride

methyl 2-amino-2-methylpropaneperoxoate;hydrochloride (PubChem CID 175031263) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is methyl 2-amino-2-methylpropaneperoxoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-methylpropaneperoxoate;hydrochloride
PubChem CID175031263
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Namemethyl 2-amino-2-methylpropaneperoxoate;hydrochloride
SMILESCOOC(=O)C(C)(C)N.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-5(2,6)4(7)9-8-3;/h6H2,1-3H3;1H
InChIKeyONPXMRGVTUZGSR-UHFFFAOYSA-N
XLogP0.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 50.25
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-aminopropan-2-yl 2-amino-2-methylpropanoate
CID 163435102
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
methyl 2,2-dimethylpentaneperoxoate
CID 150776047
ethyl 2-amino-2-methylpropanoate
CID 153428588
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
chlorophosphonic acid;ethyl 2-amino-2-methylpropaneperoxoate
CID 88924816
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
CID 87710370
2-amino-2-methylpropanethioic S-acid;hydrochloride
CID 135147542
(2-methoxy-3,3-dimethyl-1-methylperoxy-1-oxobutan-2-yl)phosphonic acid
CID 146355896

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methylpropaneperoxoate;hydrochloride?
The IUPAC name of methyl 2-amino-2-methylpropaneperoxoate;hydrochloride (CID 175031263) is methyl 2-amino-2-methylpropaneperoxoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-methylpropaneperoxoate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-methylpropaneperoxoate;hydrochloride is COOC(=O)C(C)(C)N.Cl.
What is the InChIKey of methyl 2-amino-2-methylpropaneperoxoate;hydrochloride?
The InChIKey is ONPXMRGVTUZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-5(2,6)4(7)9-8-3;/h6H2,1-3H3;1H.
What are the key properties of methyl 2-amino-2-methylpropaneperoxoate;hydrochloride?
methyl 2-amino-2-methylpropaneperoxoate;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methylpropaneperoxoate;hydrochloride is sourced from PubChem (CID 175031263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).