4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C13H14N2O4 — CID 82880744

IUPAC4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)o1
InChIInChI=1S/C13H14N2O4/c1-3-8-4-5-10(19-8)12(16)15-9-6-14-7(2)11(9)13(17)18/h4-6,14H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRBFKLRMZVPIVIT-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.43
Rot. Bonds4

About 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82880744) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82880744
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)o1
InChIInChI=1S/C13H14N2O4/c1-3-8-4-5-10(19-8)12(16)15-9-6-14-7(2)11(9)13(17)18/h4-6,14H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRBFKLRMZVPIVIT-UHFFFAOYSA-N
XLogP2.43
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82880744) is 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is CCc1ccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)o1.
What is the InChIKey of 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is RBFKLRMZVPIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-8-4-5-10(19-8)12(16)15-9-6-14-7(2)11(9)13(17)18/h4-6,14H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).