propan-2-ylazanium acetate

C5H13NO2 — CID 22623609

IUPACpropan-2-ylazanium acetate
SMILESCC(=O)[O-].CC(C)[NH3+]
InChIInChI=1S/C3H9N.C2H4O2/c1-3(2)4;1-2(3)4/h3H,4H2,1-2H3;1H3,(H,3,4)
InChIKeyUEYFKZOEGBKMKP-UHFFFAOYSA-N
MW119.16 g/mol
LogP-1.61
Rot. Bonds

About propan-2-ylazanium acetate

propan-2-ylazanium acetate (PubChem CID 22623609) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is propan-2-ylazanium acetate.

Molecular Properties

Compound Namepropan-2-ylazanium acetate
PubChem CID22623609
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Namepropan-2-ylazanium acetate
SMILESCC(=O)[O-].CC(C)[NH3+]
InChIInChI=1S/C3H9N.C2H4O2/c1-3(2)4;1-2(3)4/h3H,4H2,1-2H3;1H3,(H,3,4)
InChIKeyUEYFKZOEGBKMKP-UHFFFAOYSA-N
XLogP-1.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diazanium;propan-2-olate;acetate
CID 141066617
2-hydroxypropylazanium acetate
CID 22134549
2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
CID 139301413
germanium(4+) tetraacetate
CID 158263361
dicopper diacetate
CID 158276690
tricalcium diacetate
CID 19804487
manganese(3+) diacetate
CID 159209977
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
uranium(4+) tetraacetate
CID 51035191

Frequently Asked Questions

What is the IUPAC name of propan-2-ylazanium acetate?
The IUPAC name of propan-2-ylazanium acetate (CID 22623609) is propan-2-ylazanium acetate.
What is the SMILES notation for propan-2-ylazanium acetate?
The canonical SMILES for propan-2-ylazanium acetate is CC(=O)[O-].CC(C)[NH3+].
What is the InChIKey of propan-2-ylazanium acetate?
The InChIKey is UEYFKZOEGBKMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H4O2/c1-3(2)4;1-2(3)4/h3H,4H2,1-2H3;1H3,(H,3,4).
What are the key properties of propan-2-ylazanium acetate?
propan-2-ylazanium acetate has a molecular weight of 119.16 g/mol, XLogP of -1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylazanium acetate is sourced from PubChem (CID 22623609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).