2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid

C9H13NO2S — CID 55028747

IUPAC2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-2-10(6-9(11)12)5-8-3-4-13-7-8/h3-4,7H,2,5-6H2,1H3,(H,11,12)
InChIKeyWCZMCPOQJAWAJS-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.65
Rot. Bonds5

About 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid

2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid (PubChem CID 55028747) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
PubChem CID55028747
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-2-10(6-9(11)12)5-8-3-4-13-7-8/h3-4,7H,2,5-6H2,1H3,(H,11,12)
InChIKeyWCZMCPOQJAWAJS-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
2-[[methyl(thiophen-3-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61197925
2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197361
2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
CID 65063229
2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257795
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid
CID 59302546
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
CID 43646268
N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 165496181

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid (CID 55028747) is 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid is CCN(CC(=O)O)Cc1ccsc1.
What is the InChIKey of 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid?
The InChIKey is WCZMCPOQJAWAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-10(6-9(11)12)5-8-3-4-13-7-8/h3-4,7H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid?
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid has a molecular weight of 199.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 55028747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).