(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid

C11H15NO3S2 — CID 107774768

IUPAC(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid
SMILESCC(=O)N[C@@H](CSCCc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-8(13)12-10(11(14)15)7-16-6-4-9-3-2-5-17-9/h2-3,5,10H,4,6-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyGUILMUWBOAQPTK-JTQLQIEISA-N
MW273.38 g/mol
LogP1.61
Rot. Bonds7

About (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid

(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid (PubChem CID 107774768) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid
PubChem CID107774768
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid
SMILESCC(=O)N[C@@H](CSCCc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-8(13)12-10(11(14)15)7-16-6-4-9-3-2-5-17-9/h2-3,5,10H,4,6-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyGUILMUWBOAQPTK-JTQLQIEISA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-acetamido-3-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 107774353
(2R)-2-acetamido-3-(3-phenylpropylsulfanyl)propanoic acid
CID 107774425
2-acetamido-3-[3-[dimethyl(phenyl)silyl]propylsulfanyl]propanoic acid
CID 91519028
2-acetamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897328
4-methylsulfanyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79487537
(2R)-2-acetamido-3-(2-methylsulfonylethylsulfanyl)propanoic acid
CID 107774368
(2R)-2-acetamido-3-butylsulfanylpropanoic acid
CID 12018986
(2S)-3-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487158
2-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119224095
1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine
CID 66231037
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid (CID 107774768) is (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid is CC(=O)N[C@@H](CSCCc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid?
The InChIKey is GUILMUWBOAQPTK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-8(13)12-10(11(14)15)7-16-6-4-9-3-2-5-17-9/h2-3,5,10H,4,6-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid?
(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid is sourced from PubChem (CID 107774768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).