methyl 5-amino-5-oxopentaneperoxoate

C6H11NO4 — CID 143329977

IUPACmethyl 5-amino-5-oxopentaneperoxoate
SMILESCOOC(=O)CCCC(N)=O
InChIInChI=1S/C6H11NO4/c1-10-11-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyMJKMUJVENPKUDC-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.25
Rot. Bonds5

About methyl 5-amino-5-oxopentaneperoxoate

methyl 5-amino-5-oxopentaneperoxoate (PubChem CID 143329977) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 5-amino-5-oxopentaneperoxoate.

Molecular Properties

Compound Namemethyl 5-amino-5-oxopentaneperoxoate
PubChem CID143329977
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl 5-amino-5-oxopentaneperoxoate
SMILESCOOC(=O)CCCC(N)=O
InChIInChI=1S/C6H11NO4/c1-10-11-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyMJKMUJVENPKUDC-UHFFFAOYSA-N
XLogP-0.25
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.25
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

hexanediamide;methoxymethane
CID 87287786
methyl 5-(dimethylamino)pentaneperoxoate
CID 170358053
methyl 4-oxopentaneperoxoate
CID 172701300
4-methoxybutanamide
CID 22414177
methyl 4-methylpentaneperoxoate
CID 89052097
dimethyl pentanedioate;hydrochloride
CID 175168861
butane;methyl 3-sulfanylpropaneperoxoate
CID 87339576
4-methoxybutanamide;hydrochloride
CID 141117964
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-oxopentaneperoxoate?
The IUPAC name of methyl 5-amino-5-oxopentaneperoxoate (CID 143329977) is methyl 5-amino-5-oxopentaneperoxoate.
What is the SMILES notation for methyl 5-amino-5-oxopentaneperoxoate?
The canonical SMILES for methyl 5-amino-5-oxopentaneperoxoate is COOC(=O)CCCC(N)=O.
What is the InChIKey of methyl 5-amino-5-oxopentaneperoxoate?
The InChIKey is MJKMUJVENPKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-10-11-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H2,7,8).
What are the key properties of methyl 5-amino-5-oxopentaneperoxoate?
methyl 5-amino-5-oxopentaneperoxoate has a molecular weight of 161.16 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-oxopentaneperoxoate is sourced from PubChem (CID 143329977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).