2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate

C13H19NO3S — CID 91699227

IUPAC2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)Cc1cccs1
InChIInChI=1S/C13H19NO3S/c1-10(2)9-17-13(16)8-14(3)12(15)7-11-5-4-6-18-11/h4-6,10H,7-9H2,1-3H3
InChIKeyIHPJQNWROTXFRR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.95
Rot. Bonds6

About 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate

2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate (PubChem CID 91699227) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate
PubChem CID91699227
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)Cc1cccs1
InChIInChI=1S/C13H19NO3S/c1-10(2)9-17-13(16)8-14(3)12(15)7-11-5-4-6-18-11/h4-6,10H,7-9H2,1-3H3
InChIKeyIHPJQNWROTXFRR-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate (CID 91699227) is 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate is CC(C)COC(=O)CN(C)C(=O)Cc1cccs1.
What is the InChIKey of 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate?
The InChIKey is IHPJQNWROTXFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(2)9-17-13(16)8-14(3)12(15)7-11-5-4-6-18-11/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate?
2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate has a molecular weight of 269.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[methyl-(2-thiophen-2-ylacetyl)amino]acetate is sourced from PubChem (CID 91699227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).