[(1R,2R)-2-aminocyclohexyl] acetate

C8H15NO2 — CID 15619845

IUPAC[(1R,2R)-2-aminocyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C8H15NO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5,9H2,1H3/t7-,8-/m1/s1
InChIKeyNZWMVSIGTQJHHS-HTQZYQBOSA-N
MW157.21 g/mol
LogP0.82
Rot. Bonds1

About [(1R,2R)-2-aminocyclohexyl] acetate

[(1R,2R)-2-aminocyclohexyl] acetate (PubChem CID 15619845) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclohexyl] acetate
PubChem CID15619845
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(1R,2R)-2-aminocyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C8H15NO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5,9H2,1H3/t7-,8-/m1/s1
InChIKeyNZWMVSIGTQJHHS-HTQZYQBOSA-N
XLogP0.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclohexyl] acetate?
The IUPAC name of [(1R,2R)-2-aminocyclohexyl] acetate (CID 15619845) is [(1R,2R)-2-aminocyclohexyl] acetate.
What is the SMILES notation for [(1R,2R)-2-aminocyclohexyl] acetate?
The canonical SMILES for [(1R,2R)-2-aminocyclohexyl] acetate is CC(=O)O[C@@H]1CCCC[C@H]1N.
What is the InChIKey of [(1R,2R)-2-aminocyclohexyl] acetate?
The InChIKey is NZWMVSIGTQJHHS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of [(1R,2R)-2-aminocyclohexyl] acetate?
[(1R,2R)-2-aminocyclohexyl] acetate has a molecular weight of 157.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclohexyl] acetate is sourced from PubChem (CID 15619845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).