2-(cyclopentylazaniumyl)acetate

C7H13NO2 — CID 36691364

IUPAC2-(cyclopentylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]C1CCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)5-8-6-3-1-2-4-6/h6,8H,1-5H2,(H,9,10)
InChIKeyLRHRHAWNXCGABU-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.76
Rot. Bonds3

About 2-(cyclopentylazaniumyl)acetate

2-(cyclopentylazaniumyl)acetate (PubChem CID 36691364) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(cyclopentylazaniumyl)acetate.

Molecular Properties

Compound Name2-(cyclopentylazaniumyl)acetate
PubChem CID36691364
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(cyclopentylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]C1CCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)5-8-6-3-1-2-4-6/h6,8H,1-5H2,(H,9,10)
InChIKeyLRHRHAWNXCGABU-UHFFFAOYSA-N
XLogP-1.76
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]acetate
CID 7258867
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
CID 9265087
butanoate;dicyclohexylazanium
CID 141420564
cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9265109
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532
2-[(cyclohexylazaniumyl)methyl]benzoate
CID 41495277
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-cyclooctylazanium
CID 9265234
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium
CID 9265619
dicyclohexylazanium;2-thiophen-3-ylacetate
CID 139058148
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450825
2-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]azaniumyl]acetate
CID 7175731

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylazaniumyl)acetate?
The IUPAC name of 2-(cyclopentylazaniumyl)acetate (CID 36691364) is 2-(cyclopentylazaniumyl)acetate.
What is the SMILES notation for 2-(cyclopentylazaniumyl)acetate?
The canonical SMILES for 2-(cyclopentylazaniumyl)acetate is O=C([O-])C[NH2+]C1CCCC1.
What is the InChIKey of 2-(cyclopentylazaniumyl)acetate?
The InChIKey is LRHRHAWNXCGABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)5-8-6-3-1-2-4-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 2-(cyclopentylazaniumyl)acetate?
2-(cyclopentylazaniumyl)acetate has a molecular weight of 143.19 g/mol, XLogP of -1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylazaniumyl)acetate is sourced from PubChem (CID 36691364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).