4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid

C11H15NO3S — CID 121222692

IUPAC4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid
SMILESCC(=O)NCc1ccc(CCCC(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-8(13)12-7-10-6-5-9(16-10)3-2-4-11(14)15/h5-6H,2-4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyCKSBHPJEBOEQAI-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.79
Rot. Bonds6

About 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid

4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid (PubChem CID 121222692) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid
PubChem CID121222692
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid
SMILESCC(=O)NCc1ccc(CCCC(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-8(13)12-7-10-6-5-9(16-10)3-2-4-11(14)15/h5-6H,2-4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyCKSBHPJEBOEQAI-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Thiophene-2-carbonylamino)octanoic acid
CID 10635685
3-(Thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanoic acid
CID 2783093
3-Acetamido-3-(thiophen-2-yl)propanoic acid
CID 16227560
3-(Carbamoylamino)-3-(thiophen-2-yl)propanoic acid
CID 42930597
Alanyl-alpha-thiophenylglycine
CID 70403801
3-Thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 328215
2-{5-[(2,2,2-Trifluoroacetamido)methyl]thiophen-2-yl}acetic acid
CID 23330361
Methyl 2-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophen-2-yl]acetate
CID 54470700
4-[5-(1-Amino-6-fluorohexyl)thiophen-2-yl]butanoic acid
CID 141001224
N-(thiophen-2-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 157877485
2-[5-[[(2,2,2-Trifluoroacetyl)amino]methyl]thiophen-2-yl]propanoic acid
CID 172833682
2-Acetamido-3-(thiophen-2-yl)propanoic acid
CID 321143

Frequently Asked Questions

What is the IUPAC name of 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid (CID 121222692) is 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid is CC(=O)NCc1ccc(CCCC(=O)O)s1.
What is the InChIKey of 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid?
The InChIKey is CKSBHPJEBOEQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(13)12-7-10-6-5-9(16-10)3-2-4-11(14)15/h5-6H,2-4,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid?
4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(acetamidomethyl)thiophen-2-yl]butanoic acid is sourced from PubChem (CID 121222692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).