cyclopentylmethyl 2-amino-2-methylbutanoate

C11H21NO2 — CID 79798959

IUPACcyclopentylmethyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCC1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-11(2,12)10(13)14-8-9-6-4-5-7-9/h9H,3-8,12H2,1-2H3
InChIKeyAXDILSGABWCFJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds4

About cyclopentylmethyl 2-amino-2-methylbutanoate

cyclopentylmethyl 2-amino-2-methylbutanoate (PubChem CID 79798959) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclopentylmethyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-amino-2-methylbutanoate
PubChem CID79798959
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclopentylmethyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCC1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-11(2,12)10(13)14-8-9-6-4-5-7-9/h9H,3-8,12H2,1-2H3
InChIKeyAXDILSGABWCFJK-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-amino-2-methylbutanoate?
The IUPAC name of cyclopentylmethyl 2-amino-2-methylbutanoate (CID 79798959) is cyclopentylmethyl 2-amino-2-methylbutanoate.
What is the SMILES notation for cyclopentylmethyl 2-amino-2-methylbutanoate?
The canonical SMILES for cyclopentylmethyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-amino-2-methylbutanoate?
The InChIKey is AXDILSGABWCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(2,12)10(13)14-8-9-6-4-5-7-9/h9H,3-8,12H2,1-2H3.
What are the key properties of cyclopentylmethyl 2-amino-2-methylbutanoate?
cyclopentylmethyl 2-amino-2-methylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 79798959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).