(3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate

C13H23NO3 — CID 64818036

IUPAC(3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate
SMILESCOC1CCCC(OC(=O)C2CCCC2N)C1
InChIInChI=1S/C13H23NO3/c1-16-9-4-2-5-10(8-9)17-13(15)11-6-3-7-12(11)14/h9-12H,2-8,14H2,1H3
InChIKeyDUFUZVGVQFLOED-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.61
Rot. Bonds3

About (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate

(3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate (PubChem CID 64818036) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate
PubChem CID64818036
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate
SMILESCOC1CCCC(OC(=O)C2CCCC2N)C1
InChIInChI=1S/C13H23NO3/c1-16-9-4-2-5-10(8-9)17-13(15)11-6-3-7-12(11)14/h9-12H,2-8,14H2,1H3
InChIKeyDUFUZVGVQFLOED-UHFFFAOYSA-N
XLogP1.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate (CID 64818036) is (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate is COC1CCCC(OC(=O)C2CCCC2N)C1.
What is the InChIKey of (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate?
The InChIKey is DUFUZVGVQFLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-9-4-2-5-10(8-9)17-13(15)11-6-3-7-12(11)14/h9-12H,2-8,14H2,1H3.
What are the key properties of (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate?
(3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64818036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).