[2-(aminomethyl)cyclopentyl] methyl carbonate

C8H15NO3 — CID 79336951

IUPAC[2-(aminomethyl)cyclopentyl] methyl carbonate
SMILESCOC(=O)OC1CCCC1CN
InChIInChI=1S/C8H15NO3/c1-11-8(10)12-7-4-2-3-6(7)5-9/h6-7H,2-5,9H2,1H3
InChIKeyQLZGVIPZEIZONS-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.90
Rot. Bonds2

About [2-(aminomethyl)cyclopentyl] methyl carbonate

[2-(aminomethyl)cyclopentyl] methyl carbonate (PubChem CID 79336951) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl] methyl carbonate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl] methyl carbonate
PubChem CID79336951
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[2-(aminomethyl)cyclopentyl] methyl carbonate
SMILESCOC(=O)OC1CCCC1CN
InChIInChI=1S/C8H15NO3/c1-11-8(10)12-7-4-2-3-6(7)5-9/h6-7H,2-5,9H2,1H3
InChIKeyQLZGVIPZEIZONS-UHFFFAOYSA-N
XLogP0.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl] methyl carbonate?
The IUPAC name of [2-(aminomethyl)cyclopentyl] methyl carbonate (CID 79336951) is [2-(aminomethyl)cyclopentyl] methyl carbonate.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl] methyl carbonate?
The canonical SMILES for [2-(aminomethyl)cyclopentyl] methyl carbonate is COC(=O)OC1CCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclopentyl] methyl carbonate?
The InChIKey is QLZGVIPZEIZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)12-7-4-2-3-6(7)5-9/h6-7H,2-5,9H2,1H3.
What are the key properties of [2-(aminomethyl)cyclopentyl] methyl carbonate?
[2-(aminomethyl)cyclopentyl] methyl carbonate has a molecular weight of 173.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl] methyl carbonate is sourced from PubChem (CID 79336951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).