2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate

C13H23NO2 — CID 106203035

IUPAC2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1CCCC1C(=O)OCCC1CCC1
InChIInChI=1S/C13H23NO2/c14-9-11-5-2-6-12(11)13(15)16-8-7-10-3-1-4-10/h10-12H,1-9,14H2
InChIKeyNIKWFYFUSSQZPF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.09
Rot. Bonds5

About 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate

2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 106203035) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID106203035
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1CCCC1C(=O)OCCC1CCC1
InChIInChI=1S/C13H23NO2/c14-9-11-5-2-6-12(11)13(15)16-8-7-10-3-1-4-10/h10-12H,1-9,14H2
InChIKeyNIKWFYFUSSQZPF-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
CID 116584345
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 102982666
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 106203040
2-cyclopropylethyl 4-aminooxolane-3-carboxylate
CID 106202631
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate (CID 106203035) is 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate is NCC1CCCC1C(=O)OCCC1CCC1.
What is the InChIKey of 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is NIKWFYFUSSQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-9-11-5-2-6-12(11)13(15)16-8-7-10-3-1-4-10/h10-12H,1-9,14H2.
What are the key properties of 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate?
2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 106203035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).