2-[(5-methylthiophene-2-carbonyl)amino]acetic acid

C8H9NO3S — CID 2392412

IUPAC2-[(5-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)O)s1
InChIInChI=1S/C8H9NO3S/c1-5-2-3-6(13-5)8(12)9-4-7(10)11/h2-3H,4H2,1H3,(H,9,12)(H,10,11)
InChIKeyABACPIACDWJIOD-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.87
Rot. Bonds3

About 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid

2-[(5-methylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 2392412) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methylthiophene-2-carbonyl)amino]acetic acid
PubChem CID2392412
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-[(5-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)O)s1
InChIInChI=1S/C8H9NO3S/c1-5-2-3-6(13-5)8(12)9-4-7(10)11/h2-3H,4H2,1H3,(H,9,12)(H,10,11)
InChIKeyABACPIACDWJIOD-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid (CID 2392412) is 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid is Cc1ccc(C(=O)NCC(=O)O)s1.
What is the InChIKey of 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is ABACPIACDWJIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5-2-3-6(13-5)8(12)9-4-7(10)11/h2-3H,4H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid?
2-[(5-methylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 199.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 2392412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).