4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid

C12H19NO2S — CID 66090723

IUPAC4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid
SMILESCCC(CC(=O)O)(c1cccs1)C(C)(C)N
InChIInChI=1S/C12H19NO2S/c1-4-12(8-10(14)15,11(2,3)13)9-6-5-7-16-9/h5-7H,4,8,13H2,1-3H3,(H,14,15)
InChIKeySHTFZKKZNGODQB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.61
Rot. Bonds5

About 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid

4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid (PubChem CID 66090723) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid
PubChem CID66090723
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid
SMILESCCC(CC(=O)O)(c1cccs1)C(C)(C)N
InChIInChI=1S/C12H19NO2S/c1-4-12(8-10(14)15,11(2,3)13)9-6-5-7-16-9/h5-7H,4,8,13H2,1-3H3,(H,14,15)
InChIKeySHTFZKKZNGODQB-UHFFFAOYSA-N
XLogP2.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
4-amino-3-cyclopropyl-3-thiophen-2-ylhexanoic acid
CID 66098581
3-ethoxy-2-methyl-3-oxo-2-thiophen-2-ylpropanoate
CID 71319693
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
ethyl 2-methoxy-2,2-dithiophen-2-ylacetate
CID 54080403
3-amino-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115241897

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid?
The IUPAC name of 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid (CID 66090723) is 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid is CCC(CC(=O)O)(c1cccs1)C(C)(C)N.
What is the InChIKey of 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid?
The InChIKey is SHTFZKKZNGODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-12(8-10(14)15,11(2,3)13)9-6-5-7-16-9/h5-7H,4,8,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid?
4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid has a molecular weight of 241.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 66090723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).