3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid

C11H15NO3S — CID 115731293

IUPAC3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)CCC(=O)O)c1ccsc1
InChIInChI=1S/C11H15NO3S/c1-8(9-4-6-16-7-9)11(15)12(2)5-3-10(13)14/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyQVFOFFKSUGIZDR-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.78
Rot. Bonds5

About 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid

3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid (PubChem CID 115731293) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
PubChem CID115731293
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)CCC(=O)O)c1ccsc1
InChIInChI=1S/C11H15NO3S/c1-8(9-4-6-16-7-9)11(15)12(2)5-3-10(13)14/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyQVFOFFKSUGIZDR-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
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(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
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CID 97324518
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
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3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
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2-[(3,5-dimethoxyphenyl)methyl-(2-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197582
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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid (CID 115731293) is 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid is CC(C(=O)N(C)CCC(=O)O)c1ccsc1.
What is the InChIKey of 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
The InChIKey is QVFOFFKSUGIZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(9-4-6-16-7-9)11(15)12(2)5-3-10(13)14/h4,6-8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 115731293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).