1-amino-2-methylperoxyethanol

C3H9NO3 — CID 123254128

IUPAC1-amino-2-methylperoxyethanol
SMILESCOOCC(N)O
InChIInChI=1S/C3H9NO3/c1-6-7-2-3(4)5/h3,5H,2,4H2,1H3
InChIKeyONGYPUHAVCUTNP-UHFFFAOYSA-N
MW107.11 g/mol
LogP-1.16
Rot. Bonds3

About 1-amino-2-methylperoxyethanol

1-amino-2-methylperoxyethanol (PubChem CID 123254128) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is 1-amino-2-methylperoxyethanol.

Molecular Properties

Compound Name1-amino-2-methylperoxyethanol
PubChem CID123254128
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Name1-amino-2-methylperoxyethanol
SMILESCOOCC(N)O
InChIInChI=1S/C3H9NO3/c1-6-7-2-3(4)5/h3,5H,2,4H2,1H3
InChIKeyONGYPUHAVCUTNP-UHFFFAOYSA-N
XLogP-1.16
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-amino-2-hydroperoxyethanol
CID 173374285
(2S)-2-methyl-3-methylperoxypropan-1-ol
CID 88887750
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
1,1-diamino-3-methoxypropan-2-ol
CID 126732231
1-(methylamino)-3-methylperoxypropan-2-ol;prop-1-ene
CID 91148129
1-aminopropan-1-ol;hydrochloride
CID 18547293
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700
1-amino-4-methoxybutan-1-ol
CID 57141832
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 101137569
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylperoxyethanol?
The IUPAC name of 1-amino-2-methylperoxyethanol (CID 123254128) is 1-amino-2-methylperoxyethanol.
What is the SMILES notation for 1-amino-2-methylperoxyethanol?
The canonical SMILES for 1-amino-2-methylperoxyethanol is COOCC(N)O.
What is the InChIKey of 1-amino-2-methylperoxyethanol?
The InChIKey is ONGYPUHAVCUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3/c1-6-7-2-3(4)5/h3,5H,2,4H2,1H3.
What are the key properties of 1-amino-2-methylperoxyethanol?
1-amino-2-methylperoxyethanol has a molecular weight of 107.11 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylperoxyethanol is sourced from PubChem (CID 123254128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).