1-amino-2-hydroperoxyethanol

C2H7NO3 — CID 173374285

IUPAC1-amino-2-hydroperoxyethanol
SMILESNC(O)COO
InChIInChI=1S/C2H7NO3/c3-2(4)1-6-5/h2,4-5H,1,3H2
InChIKeyZZRWYBBHTXPBCH-UHFFFAOYSA-N
MW93.08 g/mol
LogP-1.25
Rot. Bonds2

About 1-amino-2-hydroperoxyethanol

1-amino-2-hydroperoxyethanol (PubChem CID 173374285) has the molecular formula C2H7NO3 and a molecular weight of 93.08 g/mol. Its IUPAC name is 1-amino-2-hydroperoxyethanol.

Molecular Properties

Compound Name1-amino-2-hydroperoxyethanol
PubChem CID173374285
Molecular FormulaC2H7NO3
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name1-amino-2-hydroperoxyethanol
SMILESNC(O)COO
InChIInChI=1S/C2H7NO3/c3-2(4)1-6-5/h2,4-5H,1,3H2
InChIKeyZZRWYBBHTXPBCH-UHFFFAOYSA-N
XLogP-1.25
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
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-methylperoxyethanol
CID 123254128
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
3-(hydroperoxymethyl)pentane-2,4-diol
CID 151679348
(3S)-3-amino-4-hydroperoxy-2-methylbutane-2-thiol
CID 88932011
2-(2-amino-2-hydroxyethoxy)acetaldehyde
CID 88552808
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
1,1-dichloro-2-hydroperoxyethane
CID 71366737
(1R)-1-aminoethane-1,2-diol
CID 140649256
1,4-dihydroperoxybutan-2-ol
CID 57220636
1-amino-2-silylethanol
CID 173493084
1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 101137569

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hydroperoxyethanol?
The IUPAC name of 1-amino-2-hydroperoxyethanol (CID 173374285) is 1-amino-2-hydroperoxyethanol.
What is the SMILES notation for 1-amino-2-hydroperoxyethanol?
The canonical SMILES for 1-amino-2-hydroperoxyethanol is NC(O)COO.
What is the InChIKey of 1-amino-2-hydroperoxyethanol?
The InChIKey is ZZRWYBBHTXPBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3/c3-2(4)1-6-5/h2,4-5H,1,3H2.
What are the key properties of 1-amino-2-hydroperoxyethanol?
1-amino-2-hydroperoxyethanol has a molecular weight of 93.08 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hydroperoxyethanol is sourced from PubChem (CID 173374285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).