3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid

C14H13NO3S — CID 3732659

IUPAC3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cccs1
InChIInChI=1S/C14H13NO3S/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKeyVSMYIRFIBDUAEA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.17
Rot. Bonds5

About 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid

3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 3732659) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid
PubChem CID3732659
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cccs1
InChIInChI=1S/C14H13NO3S/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKeyVSMYIRFIBDUAEA-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2812766
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(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
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Ethyl 3-(4-methylphenyl)-3-(2-thienylcarbonylamino)propanoate
CID 4989028
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
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Thiophene-2-carboxylic acid [2-(4-fluoro-phenyl)-2-oxo-ethyl]-amide
CID 856371
(5-Benzhydrylthiophene-2-carbonyl)-L-arginine
CID 25156014
(2S)-3-phenyl-2-[(thiophen-2-yl)formamido]propanoic acid
CID 1536646
N-(1-phenylethyl)thiophene-2-carboxamide
CID 2818070
5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 8866284
3-Hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 647511

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid (CID 3732659) is 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1cccs1.
What is the InChIKey of 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is VSMYIRFIBDUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18).
What are the key properties of 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid?
3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 3732659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).