(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate

C13H23NO2 — CID 66031402

IUPAC(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
SMILESCC1CCCC(OC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C13H23NO2/c1-9-3-2-4-12(7-9)16-13(15)10-5-6-11(14)8-10/h9-12H,2-8,14H2,1H3
InChIKeyLTPDLXSZVDDSJF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.24
Rot. Bonds2

About (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate

(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate (PubChem CID 66031402) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
PubChem CID66031402
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
SMILESCC1CCCC(OC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C13H23NO2/c1-9-3-2-4-12(7-9)16-13(15)10-5-6-11(14)8-10/h9-12H,2-8,14H2,1H3
InChIKeyLTPDLXSZVDDSJF-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

Analyze (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl 3-aminocyclopentane-1-carboxylate
CID 66031804
(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
CID 64731838
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
(3-methylcyclohexyl) 1,3-oxathiolane-2-carboxylate
CID 145154847
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62821410
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate?
The IUPAC name of (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate (CID 66031402) is (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate is CC1CCCC(OC(=O)C2CCC(N)C2)C1.
What is the InChIKey of (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate?
The InChIKey is LTPDLXSZVDDSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-3-2-4-12(7-9)16-13(15)10-5-6-11(14)8-10/h9-12H,2-8,14H2,1H3.
What are the key properties of (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate?
(3-methylcyclohexyl) 3-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 (3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 66031402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).