[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium

C7H16N2O4+2 — CID 162453594

IUPAC[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium
SMILESCC(COC(=O)C[NH3+])OC(=O)C[NH3+]
InChIInChI=1S/C7H14N2O4/c1-5(13-7(11)3-9)4-12-6(10)2-8/h5H,2-4,8-9H2,1H3/p+2
InChIKeyWHETXGXCTKZGEG-UHFFFAOYSA-P
MW192.21 g/mol
LogP-3.05
Rot. Bonds5

About [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium

[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium (PubChem CID 162453594) has the molecular formula C7H16N2O4+2 and a molecular weight of 192.21 g/mol. Its IUPAC name is [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium
PubChem CID162453594
Molecular FormulaC7H16N2O4+2
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium
SMILESCC(COC(=O)C[NH3+])OC(=O)C[NH3+]
InChIInChI=1S/C7H14N2O4/c1-5(13-7(11)3-9)4-12-6(10)2-8/h5H,2-4,8-9H2,1H3/p+2
InChIKeyWHETXGXCTKZGEG-UHFFFAOYSA-P
XLogP-3.05
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-3.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-2-(3-carboxypropanoyloxy)propoxy]-4-oxobutanoic acid
CID 118873147
2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
CID 58301431
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate
CID 118067128
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
4-O-(1-acetyloxyethyl) 1-O-(2-acetyloxypropyl) butanedioate
CID 123883116
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-[2-[2-(3-sulfanylbutanoyloxy)propoxy]propoxy]propyl 3-sulfanylbutanoate
CID 87066127

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium?
The IUPAC name of [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium (CID 162453594) is [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium?
The canonical SMILES for [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium is CC(COC(=O)C[NH3+])OC(=O)C[NH3+].
What is the InChIKey of [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium?
The InChIKey is WHETXGXCTKZGEG-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H14N2O4/c1-5(13-7(11)3-9)4-12-6(10)2-8/h5H,2-4,8-9H2,1H3/p+2.
What are the key properties of [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium?
[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium has a molecular weight of 192.21 g/mol, XLogP of -3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium is sourced from PubChem (CID 162453594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).