4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid

C15H15NO3S — CID 114916656

IUPAC4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
SMILESO=C(NC(CCc1ccccc1)C(=O)O)c1ccsc1
InChIInChI=1S/C15H15NO3S/c17-14(12-8-9-20-10-12)16-13(15(18)19)7-6-11-4-2-1-3-5-11/h1-5,8-10,13H,6-7H2,(H,16,17)(H,18,19)
InChIKeyUEHHKYYXEXMTRB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.56
Rot. Bonds6

About 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid

4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid (PubChem CID 114916656) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
PubChem CID114916656
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
SMILESO=C(NC(CCc1ccccc1)C(=O)O)c1ccsc1
InChIInChI=1S/C15H15NO3S/c17-14(12-8-9-20-10-12)16-13(15(18)19)7-6-11-4-2-1-3-5-11/h1-5,8-10,13H,6-7H2,(H,16,17)(H,18,19)
InChIKeyUEHHKYYXEXMTRB-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
CID 61244362
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
3-sulfanyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 16777992
2-[(5-bromothiophene-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114916690
4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 114916710
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
(2S)-2-[[3-amino-5-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoic acid
CID 90371442
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983176
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid?
The IUPAC name of 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid (CID 114916656) is 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid.
What is the SMILES notation for 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid?
The canonical SMILES for 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid is O=C(NC(CCc1ccccc1)C(=O)O)c1ccsc1.
What is the InChIKey of 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid?
The InChIKey is UEHHKYYXEXMTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(12-8-9-20-10-12)16-13(15(18)19)7-6-11-4-2-1-3-5-11/h1-5,8-10,13H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid?
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid has a molecular weight of 289.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid is sourced from PubChem (CID 114916656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).