3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid

C11H15NO3S — CID 115730873

IUPAC3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1ccsc1
InChIInChI=1S/C11H15NO3S/c1-3-11(2,6-9(13)14)12-10(15)8-4-5-16-7-8/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyVLXICYGXXJXIMH-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid

3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid (PubChem CID 115730873) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid
PubChem CID115730873
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1ccsc1
InChIInChI=1S/C11H15NO3S/c1-3-11(2,6-9(13)14)12-10(15)8-4-5-16-7-8/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyVLXICYGXXJXIMH-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
3-methyl-3-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 75482441
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
CID 115909849
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid
CID 65284027
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide
CID 140662618
2-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]propanoic acid
CID 61263000
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
(2S)-3,3-dimethyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 61143081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid (CID 115730873) is 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid is CCC(C)(CC(=O)O)NC(=O)c1ccsc1.
What is the InChIKey of 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid?
The InChIKey is VLXICYGXXJXIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-11(2,6-9(13)14)12-10(15)8-4-5-16-7-8/h4-5,7H,3,6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid?
3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid has a molecular weight of 241.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 115730873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).