2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid

C13H13NO3S — CID 43241821

IUPAC2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)sc2ccccc12
InChIInChI=1S/C13H13NO3S/c1-8-9-5-3-4-6-10(9)18-12(8)13(17)14(2)7-11(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyWEVWXHFNRVNYAG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.37
Rot. Bonds3

About 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid

2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid (PubChem CID 43241821) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
PubChem CID43241821
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)sc2ccccc12
InChIInChI=1S/C13H13NO3S/c1-8-9-5-3-4-6-10(9)18-12(8)13(17)14(2)7-11(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyWEVWXHFNRVNYAG-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid (CID 43241821) is 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid is Cc1c(C(=O)N(C)CC(=O)O)sc2ccccc12.
What is the InChIKey of 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid?
The InChIKey is WEVWXHFNRVNYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8-9-5-3-4-6-10(9)18-12(8)13(17)14(2)7-11(15)16/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid?
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 43241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).