1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid

C11H15NO4 — CID 69239964

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyFDHJVIGMEHIAIK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 69239964) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID69239964
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyFDHJVIGMEHIAIK-UHFFFAOYSA-N
XLogP1.53
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 69239964) is 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid is CC(C)(C)OC(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is FDHJVIGMEHIAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 69239964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).