3-amino-3-thiophen-2-ylbutanoic acid

C8H11NO2S — CID 55270951

IUPAC3-amino-3-thiophen-2-ylbutanoic acid
SMILESCC(N)(CC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO2S/c1-8(9,5-7(10)11)6-3-2-4-12-6/h2-4H,5,9H2,1H3,(H,10,11)
InChIKeyUASNKCXOYBOTGT-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-3-thiophen-2-ylbutanoic acid

3-amino-3-thiophen-2-ylbutanoic acid (PubChem CID 55270951) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-amino-3-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name3-amino-3-thiophen-2-ylbutanoic acid
PubChem CID55270951
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-amino-3-thiophen-2-ylbutanoic acid
SMILESCC(N)(CC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO2S/c1-8(9,5-7(10)11)6-3-2-4-12-6/h2-4H,5,9H2,1H3,(H,10,11)
InChIKeyUASNKCXOYBOTGT-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid
CID 66090723
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
3-amino-3-(5-methylthiophen-2-yl)butanoic acid
CID 55271157
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133
bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
CID 19968462
4-amino-3-cyclopropyl-3-thiophen-2-ylhexanoic acid
CID 66098581
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
3-ethoxy-2-methyl-3-oxo-2-thiophen-2-ylpropanoate
CID 71319693

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-thiophen-2-ylbutanoic acid?
The IUPAC name of 3-amino-3-thiophen-2-ylbutanoic acid (CID 55270951) is 3-amino-3-thiophen-2-ylbutanoic acid.
What is the SMILES notation for 3-amino-3-thiophen-2-ylbutanoic acid?
The canonical SMILES for 3-amino-3-thiophen-2-ylbutanoic acid is CC(N)(CC(=O)O)c1cccs1.
What is the InChIKey of 3-amino-3-thiophen-2-ylbutanoic acid?
The InChIKey is UASNKCXOYBOTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-8(9,5-7(10)11)6-3-2-4-12-6/h2-4H,5,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-3-thiophen-2-ylbutanoic acid?
3-amino-3-thiophen-2-ylbutanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 55270951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).