diazanium;propan-2-olate;acetate

C5H18N2O3 — CID 141066617

IUPACdiazanium;propan-2-olate;acetate
SMILESCC(=O)[O-].CC(C)[O-].[NH4+].[NH4+]
InChIInChI=1S/C3H7O.C2H4O2.2H3N/c1-3(2)4;1-2(3)4;;/h3H,1-2H3;1H3,(H,3,4);2*1H3/q-1;;;/p+1
InChIKeyDOPWVIFTXFBMFX-UHFFFAOYSA-O
MW154.21 g/mol
LogP-0.74
Rot. Bonds

About diazanium;propan-2-olate;acetate

diazanium;propan-2-olate;acetate (PubChem CID 141066617) has the molecular formula C5H18N2O3 and a molecular weight of 154.21 g/mol. Its IUPAC name is diazanium;propan-2-olate;acetate.

Molecular Properties

Compound Namediazanium;propan-2-olate;acetate
PubChem CID141066617
Molecular FormulaC5H18N2O3
Molecular Weight154.21 g/mol
Exact Mass154.13
IUPAC Namediazanium;propan-2-olate;acetate
SMILESCC(=O)[O-].CC(C)[O-].[NH4+].[NH4+]
InChIInChI=1S/C3H7O.C2H4O2.2H3N/c1-3(2)4;1-2(3)4;;/h3H,1-2H3;1H3,(H,3,4);2*1H3/q-1;;;/p+1
InChIKeyDOPWVIFTXFBMFX-UHFFFAOYSA-O
XLogP-0.74
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tris(2-aminoacetate);propan-2-olate;titanium(4+)
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CID 170997571
CID 170997571
tricalcium diacetate
CID 19804487
manganese(3+) diacetate
CID 159209977
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596

Frequently Asked Questions

What is the IUPAC name of diazanium;propan-2-olate;acetate?
The IUPAC name of diazanium;propan-2-olate;acetate (CID 141066617) is diazanium;propan-2-olate;acetate.
What is the SMILES notation for diazanium;propan-2-olate;acetate?
The canonical SMILES for diazanium;propan-2-olate;acetate is CC(=O)[O-].CC(C)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;propan-2-olate;acetate?
The InChIKey is DOPWVIFTXFBMFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O.C2H4O2.2H3N/c1-3(2)4;1-2(3)4;;/h3H,1-2H3;1H3,(H,3,4);2*1H3/q-1;;;/p+1.
What are the key properties of diazanium;propan-2-olate;acetate?
diazanium;propan-2-olate;acetate has a molecular weight of 154.21 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;propan-2-olate;acetate is sourced from PubChem (CID 141066617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).