(1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate

C13H25NO2 — CID 163624765

IUPAC(1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate
SMILESCCC1(OC(=O)C(C)(CC)CN)CCCC1
InChIInChI=1S/C13H25NO2/c1-4-12(3,10-14)11(15)16-13(5-2)8-6-7-9-13/h4-10,14H2,1-3H3
InChIKeyHRCPPHDIFIXYRJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds5

About (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate

(1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate (PubChem CID 163624765) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate
PubChem CID163624765
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate
SMILESCCC1(OC(=O)C(C)(CC)CN)CCCC1
InChIInChI=1S/C13H25NO2/c1-4-12(3,10-14)11(15)16-13(5-2)8-6-7-9-13/h4-10,14H2,1-3H3
InChIKeyHRCPPHDIFIXYRJ-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate?
The IUPAC name of (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate (CID 163624765) is (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate is CCC1(OC(=O)C(C)(CC)CN)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate?
The InChIKey is HRCPPHDIFIXYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-12(3,10-14)11(15)16-13(5-2)8-6-7-9-13/h4-10,14H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate?
(1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate is sourced from PubChem (CID 163624765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).