2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol

C4H12N2O4 — CID 148547917

IUPAC2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)C(O)NO
InChIInChI=1S/C4H12N2O4/c5-4(1-7,2-8)3(9)6-10/h3,6-10H,1-2,5H2
InChIKeyVSBOSAPRGZNOLB-UHFFFAOYSA-N
MW152.15 g/mol
LogP-3.03
Rot. Bonds4

About 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol

2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 148547917) has the molecular formula C4H12N2O4 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID148547917
Molecular FormulaC4H12N2O4
Molecular Weight152.15 g/mol
Exact Mass152.08
IUPAC Name2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)C(O)NO
InChIInChI=1S/C4H12N2O4/c5-4(1-7,2-8)3(9)6-10/h3,6-10H,1-2,5H2
InChIKeyVSBOSAPRGZNOLB-UHFFFAOYSA-N
XLogP-3.03
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500152.15
LogP ≤ 5-3.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol (CID 148547917) is 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol is NC(CO)(CO)C(O)NO.
What is the InChIKey of 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is VSBOSAPRGZNOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4/c5-4(1-7,2-8)3(9)6-10/h3,6-10H,1-2,5H2.
What are the key properties of 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol?
2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 152.15 g/mol, XLogP of -3.03, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(hydroxyamino)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 148547917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).