2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid

C12H19NO2S — CID 114996883

IUPAC2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
SMILESCCCC(NC(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-4-6-9(10-7-5-8-16-10)13-12(2,3)11(14)15/h5,7-9,13H,4,6H2,1-3H3,(H,14,15)
InChIKeyAUMUFDARWTYQPI-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.04
Rot. Bonds6

About 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid

2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid (PubChem CID 114996883) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
PubChem CID114996883
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
SMILESCCCC(NC(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-4-6-9(10-7-5-8-16-10)13-12(2,3)11(14)15/h5,7-9,13H,4,6H2,1-3H3,(H,14,15)
InChIKeyAUMUFDARWTYQPI-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 107826912
(2S)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 63719214
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 76921572
4-oxo-4-(1-thiophen-2-ylbutylcarbamoylamino)but-2-enoic acid
CID 76905683
ethyl 2-(1-thiophen-2-ylbutylamino)butanoate
CID 64668989
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid (CID 114996883) is 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid is CCCC(NC(C)(C)C(=O)O)c1cccs1.
What is the InChIKey of 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid?
The InChIKey is AUMUFDARWTYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-6-9(10-7-5-8-16-10)13-12(2,3)11(14)15/h5,7-9,13H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid?
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid has a molecular weight of 241.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid is sourced from PubChem (CID 114996883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).