2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid

C9H10ClNO3S — CID 61263022

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C9H10ClNO3S/c1-9(2,8(13)14)11-7(12)5-3-4-6(10)15-5/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyIGAXWPNGVZMKQB-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.99
Rot. Bonds3

About 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid

2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61263022) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61263022
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C9H10ClNO3S/c1-9(2,8(13)14)11-7(12)5-3-4-6(10)15-5/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyIGAXWPNGVZMKQB-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid (CID 61263022) is 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is IGAXWPNGVZMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-9(2,8(13)14)11-7(12)5-3-4-6(10)15-5/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid?
2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 247.70 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61263022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).