2-amino-1-(hydroxyamino)-2-methylpropan-1-ol

C4H12N2O2 — CID 57144753

IUPAC2-amino-1-(hydroxyamino)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)NO
InChIInChI=1S/C4H12N2O2/c1-4(2,5)3(7)6-8/h3,6-8H,5H2,1-2H3
InChIKeySVMITENLGWFICB-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.98
Rot. Bonds2

About 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol

2-amino-1-(hydroxyamino)-2-methylpropan-1-ol (PubChem CID 57144753) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(hydroxyamino)-2-methylpropan-1-ol
PubChem CID57144753
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name2-amino-1-(hydroxyamino)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)NO
InChIInChI=1S/C4H12N2O2/c1-4(2,5)3(7)6-8/h3,6-8H,5H2,1-2H3
InChIKeySVMITENLGWFICB-UHFFFAOYSA-N
XLogP-0.98
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol (CID 57144753) is 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol is CC(C)(N)C(O)NO.
What is the InChIKey of 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol?
The InChIKey is SVMITENLGWFICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-4(2,5)3(7)6-8/h3,6-8H,5H2,1-2H3.
What are the key properties of 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol?
2-amino-1-(hydroxyamino)-2-methylpropan-1-ol has a molecular weight of 120.15 g/mol, XLogP of -0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(hydroxyamino)-2-methylpropan-1-ol is sourced from PubChem (CID 57144753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).