cyclopentylmethyl 2-amino-2-ethylbutanoate

C12H23NO2 — CID 79803484

IUPACcyclopentylmethyl 2-amino-2-ethylbutanoate
SMILESCCC(N)(CC)C(=O)OCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-3-12(13,4-2)11(14)15-9-10-7-5-6-8-10/h10H,3-9,13H2,1-2H3
InChIKeyIAHVWJRVOYUJJS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds5

About cyclopentylmethyl 2-amino-2-ethylbutanoate

cyclopentylmethyl 2-amino-2-ethylbutanoate (PubChem CID 79803484) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclopentylmethyl 2-amino-2-ethylbutanoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-amino-2-ethylbutanoate
PubChem CID79803484
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclopentylmethyl 2-amino-2-ethylbutanoate
SMILESCCC(N)(CC)C(=O)OCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-3-12(13,4-2)11(14)15-9-10-7-5-6-8-10/h10H,3-9,13H2,1-2H3
InChIKeyIAHVWJRVOYUJJS-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
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-ethylbutanoate?
The IUPAC name of cyclopentylmethyl 2-amino-2-ethylbutanoate (CID 79803484) is cyclopentylmethyl 2-amino-2-ethylbutanoate.
What is the SMILES notation for cyclopentylmethyl 2-amino-2-ethylbutanoate?
The canonical SMILES for cyclopentylmethyl 2-amino-2-ethylbutanoate is CCC(N)(CC)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-amino-2-ethylbutanoate?
The InChIKey is IAHVWJRVOYUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(13,4-2)11(14)15-9-10-7-5-6-8-10/h10H,3-9,13H2,1-2H3.
What are the key properties of cyclopentylmethyl 2-amino-2-ethylbutanoate?
cyclopentylmethyl 2-amino-2-ethylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-amino-2-ethylbutanoate is sourced from PubChem (CID 79803484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).