4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid

C10H15NO2S — CID 39243284

IUPAC4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cccs1
InChIInChI=1S/C10H15NO2S/c1-11(6-2-5-10(12)13)8-9-4-3-7-14-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,13)
InChIKeyFEMFLEVHEAFHDZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.04
Rot. Bonds6

About 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid

4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid (PubChem CID 39243284) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
PubChem CID39243284
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cccs1
InChIInChI=1S/C10H15NO2S/c1-11(6-2-5-10(12)13)8-9-4-3-7-14-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,13)
InChIKeyFEMFLEVHEAFHDZ-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid (CID 39243284) is 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid is CN(CCCC(=O)O)Cc1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid?
The InChIKey is FEMFLEVHEAFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(6-2-5-10(12)13)8-9-4-3-7-14-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid?
4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid has a molecular weight of 213.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 39243284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).