azanium 3-aminopropanoate

C3H10N2O2 — CID 156782733

IUPACazanium 3-aminopropanoate
SMILESNCCC(=O)[O-].[NH4+]
InChIInChI=1S/C3H7NO2.H3N/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);1H3
InChIKeyGPYAZGPPTOWQAH-UHFFFAOYSA-N
MW106.12 g/mol
LogP-1.54
Rot. Bonds2

About azanium 3-aminopropanoate

azanium 3-aminopropanoate (PubChem CID 156782733) has the molecular formula C3H10N2O2 and a molecular weight of 106.12 g/mol. Its IUPAC name is azanium 3-aminopropanoate.

Molecular Properties

Compound Nameazanium 3-aminopropanoate
PubChem CID156782733
Molecular FormulaC3H10N2O2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC Nameazanium 3-aminopropanoate
SMILESNCCC(=O)[O-].[NH4+]
InChIInChI=1S/C3H7NO2.H3N/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);1H3
InChIKeyGPYAZGPPTOWQAH-UHFFFAOYSA-N
XLogP-1.54
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

calcium bis(3-aminopropanoate)
CID 135001381
zinc bis(3-aminopropanoate)
CID 87686720
azanium;lithium;butanedioate
CID 18352245
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
iodanium 5-aminopentanoate
CID 162316795
tris(11-aminoundecanoate);gold(3+)
CID 173276062
bis(butanedioate);osmium(4+)
CID 159559487
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
copper;ethane-1,2-diamine;diacetate
CID 160578350
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047

Frequently Asked Questions

What is the IUPAC name of azanium 3-aminopropanoate?
The IUPAC name of azanium 3-aminopropanoate (CID 156782733) is azanium 3-aminopropanoate.
What is the SMILES notation for azanium 3-aminopropanoate?
The canonical SMILES for azanium 3-aminopropanoate is NCCC(=O)[O-].[NH4+].
What is the InChIKey of azanium 3-aminopropanoate?
The InChIKey is GPYAZGPPTOWQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.H3N/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);1H3.
What are the key properties of azanium 3-aminopropanoate?
azanium 3-aminopropanoate has a molecular weight of 106.12 g/mol, XLogP of -1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 3-aminopropanoate is sourced from PubChem (CID 156782733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).