azanium cyclobutanecarboxylate

C5H11NO2 — CID 160775595

IUPACazanium cyclobutanecarboxylate
SMILESO=C([O-])C1CCC1.[NH4+]
InChIInChI=1S/C5H8O2.H3N/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H,6,7);1H3
InChIKeyRZXANPGSRHLWRV-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.09
Rot. Bonds1

About azanium cyclobutanecarboxylate

azanium cyclobutanecarboxylate (PubChem CID 160775595) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is azanium cyclobutanecarboxylate.

Molecular Properties

Compound Nameazanium cyclobutanecarboxylate
PubChem CID160775595
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameazanium cyclobutanecarboxylate
SMILESO=C([O-])C1CCC1.[NH4+]
InChIInChI=1S/C5H8O2.H3N/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H,6,7);1H3
InChIKeyRZXANPGSRHLWRV-UHFFFAOYSA-N
XLogP-0.09
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclotetradecanecarboxylate
CID 140590492
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
CID 171703364
CID 171703364
bis(cyclohexanecarboxylate);indium(3+);chloride
CID 160994257
calcium cyclohexane-1,3-dicarboxylate
CID 140879538
trisodium;cyclopropanecarboxylate
CID 141381064
cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
CID 158170706
disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide
CID 23229980
sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
di(cyclobutyl)methanone
CID 15444458

Frequently Asked Questions

What is the IUPAC name of azanium cyclobutanecarboxylate?
The IUPAC name of azanium cyclobutanecarboxylate (CID 160775595) is azanium cyclobutanecarboxylate.
What is the SMILES notation for azanium cyclobutanecarboxylate?
The canonical SMILES for azanium cyclobutanecarboxylate is O=C([O-])C1CCC1.[NH4+].
What is the InChIKey of azanium cyclobutanecarboxylate?
The InChIKey is RZXANPGSRHLWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.H3N/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H,6,7);1H3.
What are the key properties of azanium cyclobutanecarboxylate?
azanium cyclobutanecarboxylate has a molecular weight of 117.15 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium cyclobutanecarboxylate is sourced from PubChem (CID 160775595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).