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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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).