ethyl 2-(3,3-dimethylbutanoylamino)acetate

C10H19NO3 — CID 2818291

IUPACethyl 2-(3,3-dimethylbutanoylamino)acetate
SMILESCCOC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-14-9(13)7-11-8(12)6-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyDAHUIRDZVRITBG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds4

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

ethyl 2-(3,3-dimethylbutanoylamino)acetate (PubChem CID 2818291) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethylbutanoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethylbutanoylamino)acetate
PubChem CID2818291
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-(3,3-dimethylbutanoylamino)acetate
SMILESCCOC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-14-9(13)7-11-8(12)6-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyDAHUIRDZVRITBG-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethylbutanoylamino)acetate?
The IUPAC name of ethyl 2-(3,3-dimethylbutanoylamino)acetate (CID 2818291) is ethyl 2-(3,3-dimethylbutanoylamino)acetate.
What is the SMILES notation for ethyl 2-(3,3-dimethylbutanoylamino)acetate?
The canonical SMILES for ethyl 2-(3,3-dimethylbutanoylamino)acetate is CCOC(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of ethyl 2-(3,3-dimethylbutanoylamino)acetate?
The InChIKey is DAHUIRDZVRITBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-14-9(13)7-11-8(12)6-10(2,3)4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of ethyl 2-(3,3-dimethylbutanoylamino)acetate?
ethyl 2-(3,3-dimethylbutanoylamino)acetate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethylbutanoylamino)acetate is sourced from PubChem (CID 2818291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).