2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid

C12H12N2O3S — CID 113278622

IUPAC2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCn1cccc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H12N2O3S/c1-14-6-2-4-8(14)11(15)13-10(12(16)17)9-5-3-7-18-9/h2-7,10H,1H3,(H,13,15)(H,16,17)
InChIKeyFEXOAUUUWQHDJD-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.64
Rot. Bonds4

About 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 113278622) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID113278622
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCn1cccc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H12N2O3S/c1-14-6-2-4-8(14)11(15)13-10(12(16)17)9-5-3-7-18-9/h2-7,10H,1H3,(H,13,15)(H,16,17)
InChIKeyFEXOAUUUWQHDJD-UHFFFAOYSA-N
XLogP1.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283800
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43208802
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284684
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 113278622) is 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid is Cn1cccc1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is FEXOAUUUWQHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-14-6-2-4-8(14)11(15)13-10(12(16)17)9-5-3-7-18-9/h2-7,10H,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 264.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).