[(1R,2S)-2-acetamidocyclohexyl] acetate

C10H17NO3 — CID 6960608

IUPAC[(1R,2S)-2-acetamidocyclohexyl] acetate
SMILESCC(=O)N[C@H]1CCCC[C@H]1OC(C)=O
InChIInChI=1S/C10H17NO3/c1-7(12)11-9-5-3-4-6-10(9)14-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,12)/t9-,10+/m0/s1
InChIKeyBVZMBDRGQAOJGO-VHSXEESVSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds2

About [(1R,2S)-2-acetamidocyclohexyl] acetate

[(1R,2S)-2-acetamidocyclohexyl] acetate (PubChem CID 6960608) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(1R,2S)-2-acetamidocyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2S)-2-acetamidocyclohexyl] acetate
PubChem CID6960608
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(1R,2S)-2-acetamidocyclohexyl] acetate
SMILESCC(=O)N[C@H]1CCCC[C@H]1OC(C)=O
InChIInChI=1S/C10H17NO3/c1-7(12)11-9-5-3-4-6-10(9)14-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,12)/t9-,10+/m0/s1
InChIKeyBVZMBDRGQAOJGO-VHSXEESVSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-acetamidocyclohexyl] acetate?
The IUPAC name of [(1R,2S)-2-acetamidocyclohexyl] acetate (CID 6960608) is [(1R,2S)-2-acetamidocyclohexyl] acetate.
What is the SMILES notation for [(1R,2S)-2-acetamidocyclohexyl] acetate?
The canonical SMILES for [(1R,2S)-2-acetamidocyclohexyl] acetate is CC(=O)N[C@H]1CCCC[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2S)-2-acetamidocyclohexyl] acetate?
The InChIKey is BVZMBDRGQAOJGO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)11-9-5-3-4-6-10(9)14-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,12)/t9-,10+/m0/s1.
What are the key properties of [(1R,2S)-2-acetamidocyclohexyl] acetate?
[(1R,2S)-2-acetamidocyclohexyl] acetate has a molecular weight of 199.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-acetamidocyclohexyl] acetate is sourced from PubChem (CID 6960608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).