5-(2-thiophen-2-ylethylamino)pentanoic acid

C11H17NO2S — CID 103235534

IUPAC5-(2-thiophen-2-ylethylamino)pentanoic acid
SMILESO=C(O)CCCCNCCc1cccs1
InChIInChI=1S/C11H17NO2S/c13-11(14)5-1-2-7-12-8-6-10-4-3-9-15-10/h3-4,9,12H,1-2,5-8H2,(H,13,14)
InChIKeyVOXIYBWLZQMUFJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.14
Rot. Bonds8

About 5-(2-thiophen-2-ylethylamino)pentanoic acid

5-(2-thiophen-2-ylethylamino)pentanoic acid (PubChem CID 103235534) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-thiophen-2-ylethylamino)pentanoic acid
PubChem CID103235534
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name5-(2-thiophen-2-ylethylamino)pentanoic acid
SMILESO=C(O)CCCCNCCc1cccs1
InChIInChI=1S/C11H17NO2S/c13-11(14)5-1-2-7-12-8-6-10-4-3-9-15-10/h3-4,9,12H,1-2,5-8H2,(H,13,14)
InChIKeyVOXIYBWLZQMUFJ-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
3-[2-[4-(2-thiophen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121591
2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylethylamino)pentanoic acid?
The IUPAC name of 5-(2-thiophen-2-ylethylamino)pentanoic acid (CID 103235534) is 5-(2-thiophen-2-ylethylamino)pentanoic acid.
What is the SMILES notation for 5-(2-thiophen-2-ylethylamino)pentanoic acid?
The canonical SMILES for 5-(2-thiophen-2-ylethylamino)pentanoic acid is O=C(O)CCCCNCCc1cccs1.
What is the InChIKey of 5-(2-thiophen-2-ylethylamino)pentanoic acid?
The InChIKey is VOXIYBWLZQMUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-11(14)5-1-2-7-12-8-6-10-4-3-9-15-10/h3-4,9,12H,1-2,5-8H2,(H,13,14).
What are the key properties of 5-(2-thiophen-2-ylethylamino)pentanoic acid?
5-(2-thiophen-2-ylethylamino)pentanoic acid has a molecular weight of 227.33 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylethylamino)pentanoic acid is sourced from PubChem (CID 103235534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).