(2-ethoxycarbonylcyclopentyl)azanium

C8H16NO2+ — CID 73130407

IUPAC(2-ethoxycarbonylcyclopentyl)azanium
SMILESCCOC(=O)C1CCCC1[NH3+]
InChIInChI=1S/C8H15NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5,9H2,1H3/p+1
InChIKeyAGCJYTRMZBPEEO-UHFFFAOYSA-O
MW158.22 g/mol
LogP-0.04
Rot. Bonds2

About (2-ethoxycarbonylcyclopentyl)azanium

(2-ethoxycarbonylcyclopentyl)azanium (PubChem CID 73130407) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is (2-ethoxycarbonylcyclopentyl)azanium.

Molecular Properties

Compound Name(2-ethoxycarbonylcyclopentyl)azanium
PubChem CID73130407
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(2-ethoxycarbonylcyclopentyl)azanium
SMILESCCOC(=O)C1CCCC1[NH3+]
InChIInChI=1S/C8H15NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5,9H2,1H3/p+1
InChIKeyAGCJYTRMZBPEEO-UHFFFAOYSA-O
XLogP-0.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonylcyclopentyl)azanium?
The IUPAC name of (2-ethoxycarbonylcyclopentyl)azanium (CID 73130407) is (2-ethoxycarbonylcyclopentyl)azanium.
What is the SMILES notation for (2-ethoxycarbonylcyclopentyl)azanium?
The canonical SMILES for (2-ethoxycarbonylcyclopentyl)azanium is CCOC(=O)C1CCCC1[NH3+].
What is the InChIKey of (2-ethoxycarbonylcyclopentyl)azanium?
The InChIKey is AGCJYTRMZBPEEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5,9H2,1H3/p+1.
What are the key properties of (2-ethoxycarbonylcyclopentyl)azanium?
(2-ethoxycarbonylcyclopentyl)azanium has a molecular weight of 158.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonylcyclopentyl)azanium is sourced from PubChem (CID 73130407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).