ethyl 2-(2,2,3-trimethylbutylamino)acetate

C11H23NO2 — CID 107095555

IUPACethyl 2-(2,2,3-trimethylbutylamino)acetate
SMILESCCOC(=O)CNCC(C)(C)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-14-10(13)7-12-8-11(4,5)9(2)3/h9,12H,6-8H2,1-5H3
InChIKeyOPLCHMHBTZHVSZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.82
Rot. Bonds6

About ethyl 2-(2,2,3-trimethylbutylamino)acetate

ethyl 2-(2,2,3-trimethylbutylamino)acetate (PubChem CID 107095555) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-(2,2,3-trimethylbutylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,3-trimethylbutylamino)acetate
PubChem CID107095555
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-(2,2,3-trimethylbutylamino)acetate
SMILESCCOC(=O)CNCC(C)(C)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-14-10(13)7-12-8-11(4,5)9(2)3/h9,12H,6-8H2,1-5H3
InChIKeyOPLCHMHBTZHVSZ-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-oxo-3-(2,2,3-trimethylbutylamino)propanoate
CID 115138675
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate
CID 60908986
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
CID 157113144
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60811242
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
N-phenyl-2-(2,2,3-trimethylbutylamino)acetamide
CID 114099870
ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
CID 82723991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,3-trimethylbutylamino)acetate?
The IUPAC name of ethyl 2-(2,2,3-trimethylbutylamino)acetate (CID 107095555) is ethyl 2-(2,2,3-trimethylbutylamino)acetate.
What is the SMILES notation for ethyl 2-(2,2,3-trimethylbutylamino)acetate?
The canonical SMILES for ethyl 2-(2,2,3-trimethylbutylamino)acetate is CCOC(=O)CNCC(C)(C)C(C)C.
What is the InChIKey of ethyl 2-(2,2,3-trimethylbutylamino)acetate?
The InChIKey is OPLCHMHBTZHVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-14-10(13)7-12-8-11(4,5)9(2)3/h9,12H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(2,2,3-trimethylbutylamino)acetate?
ethyl 2-(2,2,3-trimethylbutylamino)acetate has a molecular weight of 201.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,3-trimethylbutylamino)acetate is sourced from PubChem (CID 107095555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).