4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid

C9H8N2O2S — CID 82283675

IUPAC4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid
SMILESNc1c[nH]c(-c2cccs2)c1C(=O)O
InChIInChI=1S/C9H8N2O2S/c10-5-4-11-8(7(5)9(12)13)6-2-1-3-14-6/h1-4,11H,10H2,(H,12,13)
InChIKeyYOEPVEKBGNQBGE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.02
Rot. Bonds2

About 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid

4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid (PubChem CID 82283675) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid
PubChem CID82283675
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid
SMILESNc1c[nH]c(-c2cccs2)c1C(=O)O
InChIInChI=1S/C9H8N2O2S/c10-5-4-11-8(7(5)9(12)13)6-2-1-3-14-6/h1-4,11H,10H2,(H,12,13)
InChIKeyYOEPVEKBGNQBGE-UHFFFAOYSA-N
XLogP2.02
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid (CID 82283675) is 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid is Nc1c[nH]c(-c2cccs2)c1C(=O)O.
What is the InChIKey of 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid?
The InChIKey is YOEPVEKBGNQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-5-4-11-8(7(5)9(12)13)6-2-1-3-14-6/h1-4,11H,10H2,(H,12,13).
What are the key properties of 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid?
4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82283675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).