5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid

C17H19NO3S — CID 120547119

IUPAC5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c19-16(11-14-8-9-22-12-14)18-15(6-7-17(20)21)10-13-4-2-1-3-5-13/h1-5,8-9,12,15H,6-7,10-11H2,(H,18,19)(H,20,21)
InChIKeyJFUVXOVQBOUJGA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.88
Rot. Bonds8

About 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid

5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid (PubChem CID 120547119) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
PubChem CID120547119
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c19-16(11-14-8-9-22-12-14)18-15(6-7-17(20)21)10-13-4-2-1-3-5-13/h1-5,8-9,12,15H,6-7,10-11H2,(H,18,19)(H,20,21)
InChIKeyJFUVXOVQBOUJGA-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-5-phenylpentanoic acid
CID 120690180
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
4-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-5-phenylpentanoic acid
CID 120546740
N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide
CID 112837699
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[3-(4-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546620
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid (CID 120547119) is 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)Cc1ccsc1.
What is the InChIKey of 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid?
The InChIKey is JFUVXOVQBOUJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-16(11-14-8-9-22-12-14)18-15(6-7-17(20)21)10-13-4-2-1-3-5-13/h1-5,8-9,12,15H,6-7,10-11H2,(H,18,19)(H,20,21).
What are the key properties of 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid?
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid has a molecular weight of 317.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 120547119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).