(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium

C5H11N3O3 — CID 73177433

IUPAC(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
SMILESCC(C)ON=[N+]([O-])CC(N)=O
InChIInChI=1S/C5H11N3O3/c1-4(2)11-7-8(10)3-5(6)9/h4H,3H2,1-2H3,(H2,6,9)
InChIKeyVTTIUISUOCKSCT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.23
Rot. Bonds4

About (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium

(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium (PubChem CID 73177433) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
PubChem CID73177433
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
SMILESCC(C)ON=[N+]([O-])CC(N)=O
InChIInChI=1S/C5H11N3O3/c1-4(2)11-7-8(10)3-5(6)9/h4H,3H2,1-2H3,(H2,6,9)
InChIKeyVTTIUISUOCKSCT-UHFFFAOYSA-N
XLogP-0.23
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
The IUPAC name of (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium (CID 73177433) is (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
The canonical SMILES for (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium is CC(C)ON=[N+]([O-])CC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
The InChIKey is VTTIUISUOCKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-4(2)11-7-8(10)3-5(6)9/h4H,3H2,1-2H3,(H2,6,9).
What are the key properties of (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium has a molecular weight of 161.16 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium is sourced from PubChem (CID 73177433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).