4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid

C10H15NO4 — CID 14127544

IUPAC4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid
SMILESCCOC1=C(C(=O)O)CN(C(C)C)C1=O
InChIInChI=1S/C10H15NO4/c1-4-15-8-7(10(13)14)5-11(6(2)3)9(8)12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFKSGYJIRYLRYHD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.61
Rot. Bonds4

About 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid

4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid (PubChem CID 14127544) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid
PubChem CID14127544
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid
SMILESCCOC1=C(C(=O)O)CN(C(C)C)C1=O
InChIInChI=1S/C10H15NO4/c1-4-15-8-7(10(13)14)5-11(6(2)3)9(8)12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFKSGYJIRYLRYHD-UHFFFAOYSA-N
XLogP0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid (CID 14127544) is 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid is CCOC1=C(C(=O)O)CN(C(C)C)C1=O.
What is the InChIKey of 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid?
The InChIKey is FKSGYJIRYLRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-15-8-7(10(13)14)5-11(6(2)3)9(8)12/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid?
4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 14127544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).