3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol

C10H14N2O3 — CID 170828149

IUPAC3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccccc1C=NO
InChIInChI=1S/C10H14N2O3/c11-5-9(13)10(14)8-4-2-1-3-7(8)6-12-15/h1-4,6,9-10,13-15H,5,11H2
InChIKeyPSTGZWCGWMNAPP-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.15
Rot. Bonds4

About 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol

3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol (PubChem CID 170828149) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
PubChem CID170828149
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccccc1C=NO
InChIInChI=1S/C10H14N2O3/c11-5-9(13)10(14)8-4-2-1-3-7(8)6-12-15/h1-4,6,9-10,13-15H,5,11H2
InChIKeyPSTGZWCGWMNAPP-UHFFFAOYSA-N
XLogP-0.15
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol (CID 170828149) is 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol is NCC(O)C(O)c1ccccc1C=NO.
What is the InChIKey of 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol?
The InChIKey is PSTGZWCGWMNAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-5-9(13)10(14)8-4-2-1-3-7(8)6-12-15/h1-4,6,9-10,13-15H,5,11H2.
What are the key properties of 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol?
3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol has a molecular weight of 210.23 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 170828149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).