4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid

C11H15NO3S — CID 110836782

IUPAC4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCc1csc(C(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C11H15NO3S/c1-8-6-9(16-7-8)11(15)12(2)5-3-4-10(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyOAUSDIAVHWJHFB-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.99
Rot. Bonds5

About 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid

4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 110836782) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID110836782
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCc1csc(C(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C11H15NO3S/c1-8-6-9(16-7-8)11(15)12(2)5-3-4-10(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyOAUSDIAVHWJHFB-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 103399966
4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 43240394
4-[(2-hydroxy-4-methylbenzoyl)-methylamino]butanoic acid
CID 43151825
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
CID 110836780
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
4-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 119172859
4-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173000
4-[(4-methoxythiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 81117101

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid (CID 110836782) is 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid is Cc1csc(C(=O)N(C)CCCC(=O)O)c1.
What is the InChIKey of 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is OAUSDIAVHWJHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-6-9(16-7-8)11(15)12(2)5-3-4-10(13)14/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid?
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).