2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol

C6H15NO3 — CID 54248160

IUPAC2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CCNO
InChIInChI=1S/C6H15NO3/c1-6(4-8,5-9)2-3-7-10/h7-10H,2-5H2,1H3
InChIKeyQUUMZSLXZDHJMA-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.65
Rot. Bonds5

About 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol

2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol (PubChem CID 54248160) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol
PubChem CID54248160
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CCNO
InChIInChI=1S/C6H15NO3/c1-6(4-8,5-9)2-3-7-10/h7-10H,2-5H2,1H3
InChIKeyQUUMZSLXZDHJMA-UHFFFAOYSA-N
XLogP-0.65
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-(hydroxymethyl)-2-methylpentane-1,5-diol
CID 59271141
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
CID 11572614
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
CID 87364467
CID 87364467
CID 174073154
CID 174073154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol (CID 54248160) is 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol is CC(CO)(CO)CCNO.
What is the InChIKey of 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol?
The InChIKey is QUUMZSLXZDHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-6(4-8,5-9)2-3-7-10/h7-10H,2-5H2,1H3.
What are the key properties of 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol?
2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol has a molecular weight of 149.19 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 54248160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).