1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide

C4H11NO3 — CID 18519471

IUPAC1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide
SMILESCC(O)[NH+]([O-])C(C)O
InChIInChI=1S/C4H11NO3/c1-3(6)5(8)4(2)7/h3-7H,1-2H3
InChIKeyMLJWKCDWTGQWET-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.95
Rot. Bonds2

About 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide

1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide (PubChem CID 18519471) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide.

Molecular Properties

Compound Name1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide
PubChem CID18519471
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide
SMILESCC(O)[NH+]([O-])C(C)O
InChIInChI=1S/C4H11NO3/c1-3(6)5(8)4(2)7/h3-7H,1-2H3
InChIKeyMLJWKCDWTGQWET-UHFFFAOYSA-N
XLogP-1.95
TPSA67.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

tris(1-hydroxyethyl)azanium bromide
CID 18003845
dihydroxy(propan-2-yl)azanium
CID 173132056
2-hydroxy-N-methylpropan-1-amine oxide
CID 163564233
propan-2-ol;tris(propan-2-olate);yttrium(3+)
CID 172780762
trihydroxy(methyl)phosphanium;zinc
CID 158601000
lutetium;propan-2-ol
CID 174898431
Indium(III) isopropoxide
CID 159258374
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
tetrakis(propan-2-ol);samarium
CID 175326578
ethane-1,1-diol;hydrate
CID 86643495
erbium;propan-2-ol
CID 160843836
CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide?
The IUPAC name of 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide (CID 18519471) is 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide.
What is the SMILES notation for 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide?
The canonical SMILES for 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide is CC(O)[NH+]([O-])C(C)O.
What is the InChIKey of 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide?
The InChIKey is MLJWKCDWTGQWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-3(6)5(8)4(2)7/h3-7H,1-2H3.
What are the key properties of 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide?
1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide has a molecular weight of 121.14 g/mol, XLogP of -1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide is sourced from PubChem (CID 18519471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).