tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate

C16H25NO2S — CID 81462600

IUPACtert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)19-14(18)11-17-15(12-7-4-5-8-12)13-9-6-10-20-13/h6,9-10,12,15,17H,4-5,7-8,11H2,1-3H3
InChIKeyFLNRLKMGAXIZII-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.91
Rot. Bonds5

About tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate

tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate (PubChem CID 81462600) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate
PubChem CID81462600
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)19-14(18)11-17-15(12-7-4-5-8-12)13-9-6-10-20-13/h6,9-10,12,15,17H,4-5,7-8,11H2,1-3H3
InChIKeyFLNRLKMGAXIZII-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate (CID 81462600) is tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate is CC(C)(C)OC(=O)CNC(c1cccs1)C1CCCC1.
What is the InChIKey of tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate?
The InChIKey is FLNRLKMGAXIZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,3)19-14(18)11-17-15(12-7-4-5-8-12)13-9-6-10-20-13/h6,9-10,12,15,17H,4-5,7-8,11H2,1-3H3.
What are the key properties of tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate?
tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate has a molecular weight of 295.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]acetate is sourced from PubChem (CID 81462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).