(4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate

C13H23NO2 — CID 64817066

IUPAC(4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate
SMILESCC1CCC(OC(=O)C2CCCC2N)CC1
InChIInChI=1S/C13H23NO2/c1-9-5-7-10(8-6-9)16-13(15)11-3-2-4-12(11)14/h9-12H,2-8,14H2,1H3
InChIKeyTXKGFJYEGLWTIG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.24
Rot. Bonds2

About (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate

(4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate (PubChem CID 64817066) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate
PubChem CID64817066
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate
SMILESCC1CCC(OC(=O)C2CCCC2N)CC1
InChIInChI=1S/C13H23NO2/c1-9-5-7-10(8-6-9)16-13(15)11-3-2-4-12(11)14/h9-12H,2-8,14H2,1H3
InChIKeyTXKGFJYEGLWTIG-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate (CID 64817066) is (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate is CC1CCC(OC(=O)C2CCCC2N)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate?
The InChIKey is TXKGFJYEGLWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-5-7-10(8-6-9)16-13(15)11-3-2-4-12(11)14/h9-12H,2-8,14H2,1H3.
What are the key properties of (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate?
(4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64817066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).