2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium

C7H16N3O2+ — CID 28816307

IUPAC2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)/C=N\O
InChIInChI=1S/C7H15N3O2/c1-10(2,3)5-4-8-7(11)6-9-12/h6H,4-5H2,1-3H3,(H-,8,11,12)/p+1
InChIKeyXFUQAMIAEFTNLN-UHFFFAOYSA-O
MW174.22 g/mol
LogP-0.73
Rot. Bonds4

About 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium

2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium (PubChem CID 28816307) has the molecular formula C7H16N3O2+ and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
PubChem CID28816307
Molecular FormulaC7H16N3O2+
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)/C=N\O
InChIInChI=1S/C7H15N3O2/c1-10(2,3)5-4-8-7(11)6-9-12/h6H,4-5H2,1-3H3,(H-,8,11,12)/p+1
InChIKeyXFUQAMIAEFTNLN-UHFFFAOYSA-O
XLogP-0.73
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium diiodide
CID 6434678
benzyl-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethyl]-dimethylazanium iodide
CID 17190134
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
CID 6408182
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
trimethyl-[2-(methylcarbamoylamino)ethyl]azanium
CID 13379058
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800

Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium (CID 28816307) is 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium is C[N+](C)(C)CCNC(=O)/C=N\O.
What is the InChIKey of 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium?
The InChIKey is XFUQAMIAEFTNLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N3O2/c1-10(2,3)5-4-8-7(11)6-9-12/h6H,4-5H2,1-3H3,(H-,8,11,12)/p+1.
What are the key properties of 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium?
2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium has a molecular weight of 174.22 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 28816307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).