[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate

C10H19NO4 — CID 135053932

IUPAC[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate
SMILESCC(=O)[O-].CCOC(=O)C1CCC[C@H]1[NH3+]
InChIInChI=1S/C8H15NO2.C2H4O2/c1-2-11-8(10)6-4-3-5-7(6)9;1-2(3)4/h6-7H,2-5,9H2,1H3;1H3,(H,3,4)/t6?,7-;/m1./s1
InChIKeyRGVBYJNOLVOHGO-SGMQTFONSA-N
MW217.26 g/mol
LogP-1.28
Rot. Bonds2

About [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate

[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate (PubChem CID 135053932) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate.

Molecular Properties

Compound Name[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate
PubChem CID135053932
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate
SMILESCC(=O)[O-].CCOC(=O)C1CCC[C@H]1[NH3+]
InChIInChI=1S/C8H15NO2.C2H4O2/c1-2-11-8(10)6-4-3-5-7(6)9;1-2(3)4/h6-7H,2-5,9H2,1H3;1H3,(H,3,4)/t6?,7-;/m1./s1
InChIKeyRGVBYJNOLVOHGO-SGMQTFONSA-N
XLogP-1.28
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate?
The IUPAC name of [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate (CID 135053932) is [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate.
What is the SMILES notation for [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate?
The canonical SMILES for [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate is CC(=O)[O-].CCOC(=O)C1CCC[C@H]1[NH3+].
What is the InChIKey of [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate?
The InChIKey is RGVBYJNOLVOHGO-SGMQTFONSA-N. The full InChI is InChI=1S/C8H15NO2.C2H4O2/c1-2-11-8(10)6-4-3-5-7(6)9;1-2(3)4/h6-7H,2-5,9H2,1H3;1H3,(H,3,4)/t6?,7-;/m1./s1.
What are the key properties of [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate?
[(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate has a molecular weight of 217.26 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-ethoxycarbonylcyclopentyl]azanium acetate is sourced from PubChem (CID 135053932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).