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

C5H11N3O3 — CID 12917311

IUPAC(Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
SMILESCC(C)O/N=[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)/b8-7-
InChIKeyVTTIUISUOCKSCT-FPLPWBNLSA-N
MW161.16 g/mol
LogP-0.23
Rot. Bonds4

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

(Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium (PubChem CID 12917311) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium.

Molecular Properties

Compound Name(Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
PubChem CID12917311
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
SMILESCC(C)O/N=[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)/b8-7-
InChIKeyVTTIUISUOCKSCT-FPLPWBNLSA-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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Related Compounds

2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 44508056
N'-butan-2-yloxyoxamide
CID 175241762
(Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium
CID 12917310
(Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium
CID 12917315
2-amino-N-propoxyacetamide
CID 55284447
(2-Amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium
CID 73177433
2-(isopropoxy-NON-azoxy)acetamide
CID 99638039
(2R)-2-amino-N-propan-2-yloxypropanamide
CID 130644819
2-amino-N-propan-2-yloxypropanamide
CID 130697543
2-(Propoxyamino)acetamide
CID 131093395

Frequently Asked Questions

What is the IUPAC name of (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
The IUPAC name of (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium (CID 12917311) is (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium.
What is the SMILES notation for (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
The canonical SMILES for (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium is CC(C)O/N=[N+](\[O-])CC(N)=O.
What is the InChIKey of (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
The InChIKey is VTTIUISUOCKSCT-FPLPWBNLSA-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)/b8-7-.
What are the key properties of (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium?
(Z)-(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 (Z)-(2-amino-2-oxoethyl)-oxido-propan-2-yloxyiminoazanium is sourced from PubChem (CID 12917311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).