tert-butyl 2-(thiophen-2-ylamino)acetate

C10H15NO2S — CID 57324703

IUPACtert-butyl 2-(thiophen-2-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNc1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)7-11-8-5-4-6-14-8/h4-6,11H,7H2,1-3H3
InChIKeyGDXPTDWPEYYBOV-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl 2-(thiophen-2-ylamino)acetate

tert-butyl 2-(thiophen-2-ylamino)acetate (PubChem CID 57324703) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is tert-butyl 2-(thiophen-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(thiophen-2-ylamino)acetate
PubChem CID57324703
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nametert-butyl 2-(thiophen-2-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNc1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)7-11-8-5-4-6-14-8/h4-6,11H,7H2,1-3H3
InChIKeyGDXPTDWPEYYBOV-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(thiophen-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(thiophen-2-ylamino)acetate (CID 57324703) is tert-butyl 2-(thiophen-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(thiophen-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(thiophen-2-ylamino)acetate is CC(C)(C)OC(=O)CNc1cccs1.
What is the InChIKey of tert-butyl 2-(thiophen-2-ylamino)acetate?
The InChIKey is GDXPTDWPEYYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)7-11-8-5-4-6-14-8/h4-6,11H,7H2,1-3H3.
What are the key properties of tert-butyl 2-(thiophen-2-ylamino)acetate?
tert-butyl 2-(thiophen-2-ylamino)acetate has a molecular weight of 213.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(thiophen-2-ylamino)acetate is sourced from PubChem (CID 57324703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).