5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid

C12H19NO2S — CID 103251821

IUPAC5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1cccs1)NCCCCC(=O)O
InChIInChI=1S/C12H19NO2S/c1-10(9-11-5-4-8-16-11)13-7-3-2-6-12(14)15/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyUZENUQQNJXOJBH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.52
Rot. Bonds8

About 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid

5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid (PubChem CID 103251821) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
PubChem CID103251821
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1cccs1)NCCCCC(=O)O
InChIInChI=1S/C12H19NO2S/c1-10(9-11-5-4-8-16-11)13-7-3-2-6-12(14)15/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyUZENUQQNJXOJBH-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.52
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

3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568

Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid (CID 103251821) is 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid is CC(Cc1cccs1)NCCCCC(=O)O.
What is the InChIKey of 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid?
The InChIKey is UZENUQQNJXOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(9-11-5-4-8-16-11)13-7-3-2-6-12(14)15/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H,14,15).
What are the key properties of 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid?
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid has a molecular weight of 241.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 103251821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).