5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid

C16H17NO3S — CID 53377465

IUPAC5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid
SMILESO=C(O)CC(CCc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C16H17NO3S/c18-15(19)11-13(9-8-12-5-2-1-3-6-12)17-16(20)14-7-4-10-21-14/h1-7,10,13H,8-9,11H2,(H,17,20)(H,18,19)
InChIKeyGBVZOLKVGSVHCC-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.95
Rot. Bonds7

About 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid

5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid (PubChem CID 53377465) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid
PubChem CID53377465
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid
SMILESO=C(O)CC(CCc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C16H17NO3S/c18-15(19)11-13(9-8-12-5-2-1-3-6-12)17-16(20)14-7-4-10-21-14/h1-7,10,13H,8-9,11H2,(H,17,20)(H,18,19)
InChIKeyGBVZOLKVGSVHCC-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Ethyl 3-(4-methylphenyl)-3-(2-thienylcarbonylamino)propanoate
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3-{[5-(3-Guanidino-3-oxo-propyl)-thiophene-2-carbonyl]-amino}-3-phenyl-propionic acid
CID 9802663
(R)-3-(4-(4''-acetylbiphenyl-4-yl)-5-fluorothiophene-2-carboxamido)-3-phenylpropanoic acid
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N-[1-(4-ethylphenyl)ethyl]thiophene-2-carboxamide
CID 3504524
(2S)-3-phenyl-2-[(thiophen-2-yl)formamido]propanoic acid
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N-(1-phenylethyl)thiophene-2-carboxamide
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5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid?
The IUPAC name of 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid (CID 53377465) is 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid?
The canonical SMILES for 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid is O=C(O)CC(CCc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid?
The InChIKey is GBVZOLKVGSVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-15(19)11-13(9-8-12-5-2-1-3-6-12)17-16(20)14-7-4-10-21-14/h1-7,10,13H,8-9,11H2,(H,17,20)(H,18,19).
What are the key properties of 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid?
5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid has a molecular weight of 303.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(thiophene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 53377465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).