3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid

C10H15NO2S — CID 63291768

IUPAC3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
SMILESCC(Cc1cccs1)NCCC(=O)O
InChIInChI=1S/C10H15NO2S/c1-8(11-5-4-10(12)13)7-9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3,(H,12,13)
InChIKeyLTFUUWNWGIUCBR-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.74
Rot. Bonds6

About 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid

3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid (PubChem CID 63291768) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
PubChem CID63291768
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
SMILESCC(Cc1cccs1)NCCC(=O)O
InChIInChI=1S/C10H15NO2S/c1-8(11-5-4-10(12)13)7-9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3,(H,12,13)
InChIKeyLTFUUWNWGIUCBR-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
3-[[2-(phosphonomethyl)-3-thiophen-2-ylpropanoyl]amino]propanoic acid
CID 70067523
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103251827
3-[2-(1-thiophen-2-ylpropan-2-ylamino)ethoxy]benzoic acid
CID 103251829

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
The IUPAC name of 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid (CID 63291768) is 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
The canonical SMILES for 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid is CC(Cc1cccs1)NCCC(=O)O.
What is the InChIKey of 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
The InChIKey is LTFUUWNWGIUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(11-5-4-10(12)13)7-9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid has a molecular weight of 213.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid is sourced from PubChem (CID 63291768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).