(2-aminocyclopentyl) 2-methylpropanoate

C9H17NO2 — CID 162779526

IUPAC(2-aminocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCC1N
InChIInChI=1S/C9H17NO2/c1-6(2)9(11)12-8-5-3-4-7(8)10/h6-8H,3-5,10H2,1-2H3
InChIKeyHPJLTTDLFVPJNE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About (2-aminocyclopentyl) 2-methylpropanoate

(2-aminocyclopentyl) 2-methylpropanoate (PubChem CID 162779526) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-aminocyclopentyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-aminocyclopentyl) 2-methylpropanoate
PubChem CID162779526
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2-aminocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCC1N
InChIInChI=1S/C9H17NO2/c1-6(2)9(11)12-8-5-3-4-7(8)10/h6-8H,3-5,10H2,1-2H3
InChIKeyHPJLTTDLFVPJNE-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl) 2-methylpropanoate?
The IUPAC name of (2-aminocyclopentyl) 2-methylpropanoate (CID 162779526) is (2-aminocyclopentyl) 2-methylpropanoate.
What is the SMILES notation for (2-aminocyclopentyl) 2-methylpropanoate?
The canonical SMILES for (2-aminocyclopentyl) 2-methylpropanoate is CC(C)C(=O)OC1CCCC1N.
What is the InChIKey of (2-aminocyclopentyl) 2-methylpropanoate?
The InChIKey is HPJLTTDLFVPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(11)12-8-5-3-4-7(8)10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of (2-aminocyclopentyl) 2-methylpropanoate?
(2-aminocyclopentyl) 2-methylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl) 2-methylpropanoate is sourced from PubChem (CID 162779526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).