methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate

C11H15NO2S — CID 47023480

IUPACmethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)8-12(9-4-5-9)7-10-3-2-6-15-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyKMMRULLYIWGRII-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate

methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate (PubChem CID 47023480) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
PubChem CID47023480
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)8-12(9-4-5-9)7-10-3-2-6-15-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyKMMRULLYIWGRII-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate (CID 47023480) is methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate is COC(=O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
The InChIKey is KMMRULLYIWGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-11(13)8-12(9-4-5-9)7-10-3-2-6-15-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 225.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 47023480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).