cyclohexyl 2-aminocyclopentane-1-carboxylate

C12H21NO2 — CID 64816481

IUPACcyclohexyl 2-aminocyclopentane-1-carboxylate
SMILESNC1CCCC1C(=O)OC1CCCCC1
InChIInChI=1S/C12H21NO2/c13-11-8-4-7-10(11)12(14)15-9-5-2-1-3-6-9/h9-11H,1-8,13H2
InChIKeyLUPMYOAQQUHDSO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.99
Rot. Bonds2

About cyclohexyl 2-aminocyclopentane-1-carboxylate

cyclohexyl 2-aminocyclopentane-1-carboxylate (PubChem CID 64816481) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclohexyl 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-aminocyclopentane-1-carboxylate
PubChem CID64816481
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclohexyl 2-aminocyclopentane-1-carboxylate
SMILESNC1CCCC1C(=O)OC1CCCCC1
InChIInChI=1S/C12H21NO2/c13-11-8-4-7-10(11)12(14)15-9-5-2-1-3-6-9/h9-11H,1-8,13H2
InChIKeyLUPMYOAQQUHDSO-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-aminocyclopentane-1-carboxylate?
The IUPAC name of cyclohexyl 2-aminocyclopentane-1-carboxylate (CID 64816481) is cyclohexyl 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cyclohexyl 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for cyclohexyl 2-aminocyclopentane-1-carboxylate is NC1CCCC1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-aminocyclopentane-1-carboxylate?
The InChIKey is LUPMYOAQQUHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-11-8-4-7-10(11)12(14)15-9-5-2-1-3-6-9/h9-11H,1-8,13H2.
What are the key properties of cyclohexyl 2-aminocyclopentane-1-carboxylate?
cyclohexyl 2-aminocyclopentane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64816481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).