pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate

C12H23NO2 — CID 102982666

IUPACpentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
SMILESCCCC(C)OC(=O)C1CCCC1CN
InChIInChI=1S/C12H23NO2/c1-3-5-9(2)15-12(14)11-7-4-6-10(11)8-13/h9-11H,3-8,13H2,1-2H3
InChIKeyBXUVMGDECTZMBY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds5

About pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate

pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 102982666) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namepentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID102982666
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
SMILESCCCC(C)OC(=O)C1CCCC1CN
InChIInChI=1S/C12H23NO2/c1-3-5-9(2)15-12(14)11-7-4-6-10(11)8-13/h9-11H,3-8,13H2,1-2H3
InChIKeyBXUVMGDECTZMBY-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
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
3-pentan-2-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262957
pentan-2-yl 4-aminooxolane-3-carboxylate
CID 102982710
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
bis(7-methyloctan-2-yl) cyclohexane-1,2-dicarboxylate
CID 138630127
2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 106203035
dioctan-2-yl 3-methylcyclohexane-1,2-dicarboxylate
CID 139780194
pentan-2-yl piperidine-2-carboxylate
CID 102982469
pentan-2-yl azepane-2-carboxylate
CID 102982576
pentan-2-yl piperidine-4-carboxylate;hydrochloride
CID 156695662
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate (CID 102982666) is pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate is CCCC(C)OC(=O)C1CCCC1CN.
What is the InChIKey of pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is BXUVMGDECTZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-9(2)15-12(14)11-7-4-6-10(11)8-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate?
pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 213.32 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 pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102982666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).