2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid

C11H15NO3S — CID 65219165

IUPAC2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)Cc1ccsc1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-2-9(11(14)15)6-12-10(13)5-8-3-4-16-7-8/h3-4,7,9H,2,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyFNAVVGSZLCSRDM-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.52
Rot. Bonds6

About 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid

2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid (PubChem CID 65219165) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
PubChem CID65219165
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)Cc1ccsc1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-2-9(11(14)15)6-12-10(13)5-8-3-4-16-7-8/h3-4,7,9H,2,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyFNAVVGSZLCSRDM-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-(2-chloro-4,4-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 107156940
4-methylsulfonyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43105283
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid (CID 65219165) is 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid is CCC(CNC(=O)Cc1ccsc1)C(=O)O.
What is the InChIKey of 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid?
The InChIKey is FNAVVGSZLCSRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-9(11(14)15)6-12-10(13)5-8-3-4-16-7-8/h3-4,7,9H,2,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid?
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65219165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).