azanium;propanoic acid;hydroxide

C3H11NO3 — CID 161106901

IUPACazanium;propanoic acid;hydroxide
SMILESCCC(=O)O.[NH4+].[OH-]
InChIInChI=1S/C3H6O2.H3N.H2O/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);1H3;1H2
InChIKeyUJEAZOQXYYZOTP-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.68
Rot. Bonds1

About azanium;propanoic acid;hydroxide

azanium;propanoic acid;hydroxide (PubChem CID 161106901) has the molecular formula C3H11NO3 and a molecular weight of 109.12 g/mol. Its IUPAC name is azanium;propanoic acid;hydroxide.

Molecular Properties

Compound Nameazanium;propanoic acid;hydroxide
PubChem CID161106901
Molecular FormulaC3H11NO3
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Nameazanium;propanoic acid;hydroxide
SMILESCCC(=O)O.[NH4+].[OH-]
InChIInChI=1S/C3H6O2.H3N.H2O/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);1H3;1H2
InChIKeyUJEAZOQXYYZOTP-UHFFFAOYSA-N
XLogP0.68
TPSA103.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium;propanoic acid;hydroxide?
The IUPAC name of azanium;propanoic acid;hydroxide (CID 161106901) is azanium;propanoic acid;hydroxide.
What is the SMILES notation for azanium;propanoic acid;hydroxide?
The canonical SMILES for azanium;propanoic acid;hydroxide is CCC(=O)O.[NH4+].[OH-].
What is the InChIKey of azanium;propanoic acid;hydroxide?
The InChIKey is UJEAZOQXYYZOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.H3N.H2O/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);1H3;1H2.
What are the key properties of azanium;propanoic acid;hydroxide?
azanium;propanoic acid;hydroxide has a molecular weight of 109.12 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;propanoic acid;hydroxide is sourced from PubChem (CID 161106901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).