(2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium

C7H15N2O3+ — CID 135212018

IUPAC(2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium
SMILESCOC(=O)C[N+](C)(C)CCN=O
InChIInChI=1S/C7H15N2O3/c1-9(2,5-4-8-11)6-7(10)12-3/h4-6H2,1-3H3/q+1
InChIKeyBGRRWYWGAQSLDB-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.00
Rot. Bonds5

About (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium

(2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium (PubChem CID 135212018) has the molecular formula C7H15N2O3+ and a molecular weight of 175.21 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium
PubChem CID135212018
Molecular FormulaC7H15N2O3+
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Name(2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium
SMILESCOC(=O)C[N+](C)(C)CCN=O
InChIInChI=1S/C7H15N2O3/c1-9(2,5-4-8-11)6-7(10)12-3/h4-6H2,1-3H3/q+1
InChIKeyBGRRWYWGAQSLDB-UHFFFAOYSA-N
XLogP0.00
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
CID 12573214
[(E)-but-2-enyl]-(2-methoxy-2-oxoethyl)-dimethylazanium iodide
CID 10518233
3-(heptadecanoylamino)propyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 118501458
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
butane;methyl 2-nitrosoacetate
CID 142212334
(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
CID 143427975
methyl 3-methyl-3-nitrosobutanoate
CID 552574
[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 89356532
carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
CID 146852079
CID 87726616
CID 87726616
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784
(6-methoxy-6-oxohexyl)-trimethylazanium
CID 139671551

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium (CID 135212018) is (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium is COC(=O)C[N+](C)(C)CCN=O.
What is the InChIKey of (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium?
The InChIKey is BGRRWYWGAQSLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O3/c1-9(2,5-4-8-11)6-7(10)12-3/h4-6H2,1-3H3/q+1.
What are the key properties of (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium?
(2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium has a molecular weight of 175.21 g/mol, XLogP of 0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)-dimethyl-(2-nitrosoethyl)azanium is sourced from PubChem (CID 135212018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).