ethyl 2-(2,2-dimethylpentylamino)acetate

C11H23NO2 — CID 115257590

IUPACethyl 2-(2,2-dimethylpentylamino)acetate
SMILESCCCC(C)(C)CNCC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-7-11(3,4)9-12-8-10(13)14-6-2/h12H,5-9H2,1-4H3
InChIKeyYZHJLKGTHLJUBZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds7

About ethyl 2-(2,2-dimethylpentylamino)acetate

ethyl 2-(2,2-dimethylpentylamino)acetate (PubChem CID 115257590) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpentylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpentylamino)acetate
PubChem CID115257590
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-(2,2-dimethylpentylamino)acetate
SMILESCCCC(C)(C)CNCC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-7-11(3,4)9-12-8-10(13)14-6-2/h12H,5-9H2,1-4H3
InChIKeyYZHJLKGTHLJUBZ-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpentylamino)acetate?
The IUPAC name of ethyl 2-(2,2-dimethylpentylamino)acetate (CID 115257590) is ethyl 2-(2,2-dimethylpentylamino)acetate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpentylamino)acetate?
The canonical SMILES for ethyl 2-(2,2-dimethylpentylamino)acetate is CCCC(C)(C)CNCC(=O)OCC.
What is the InChIKey of ethyl 2-(2,2-dimethylpentylamino)acetate?
The InChIKey is YZHJLKGTHLJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-11(3,4)9-12-8-10(13)14-6-2/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(2,2-dimethylpentylamino)acetate?
ethyl 2-(2,2-dimethylpentylamino)acetate has a molecular weight of 201.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpentylamino)acetate is sourced from PubChem (CID 115257590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).