2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid

C11H15NO3S2 — CID 43237373

IUPAC2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
SMILESCC(SCC(=O)NC(C)c1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-7(9-4-3-5-16-9)12-10(13)6-17-8(2)11(14)15/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIFAQTKRTNPSKSQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid

2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid (PubChem CID 43237373) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
PubChem CID43237373
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
SMILESCC(SCC(=O)NC(C)c1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-7(9-4-3-5-16-9)12-10(13)6-17-8(2)11(14)15/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIFAQTKRTNPSKSQ-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylpropanoic acid
CID 43237479
(2R)-2-acetamido-3-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 107774353
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-(2-aminobutylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 66228221
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40682887

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid (CID 43237373) is 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid is CC(SCC(=O)NC(C)c1cccs1)C(=O)O.
What is the InChIKey of 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
The InChIKey is IFAQTKRTNPSKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7(9-4-3-5-16-9)12-10(13)6-17-8(2)11(14)15/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43237373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).