[2-(aminomethyl)cyclopentyl] acetate

C8H15NO2 — CID 174436226

IUPAC[2-(aminomethyl)cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1CN
InChIInChI=1S/C8H15NO2/c1-6(10)11-8-4-2-3-7(8)5-9/h7-8H,2-5,9H2,1H3
InChIKeyMSZHBQRPXARAHF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds2

About [2-(aminomethyl)cyclopentyl] acetate

[2-(aminomethyl)cyclopentyl] acetate (PubChem CID 174436226) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl] acetate
PubChem CID174436226
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[2-(aminomethyl)cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1CN
InChIInChI=1S/C8H15NO2/c1-6(10)11-8-4-2-3-7(8)5-9/h7-8H,2-5,9H2,1H3
InChIKeyMSZHBQRPXARAHF-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl] acetate?
The IUPAC name of [2-(aminomethyl)cyclopentyl] acetate (CID 174436226) is [2-(aminomethyl)cyclopentyl] acetate.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl] acetate?
The canonical SMILES for [2-(aminomethyl)cyclopentyl] acetate is CC(=O)OC1CCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclopentyl] acetate?
The InChIKey is MSZHBQRPXARAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)11-8-4-2-3-7(8)5-9/h7-8H,2-5,9H2,1H3.
What are the key properties of [2-(aminomethyl)cyclopentyl] acetate?
[2-(aminomethyl)cyclopentyl] acetate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl] acetate is sourced from PubChem (CID 174436226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).