3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid

C13H18N2O4 — CID 82749468

IUPAC3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H18N2O4/c1-7-10(8(2)14-11(7)13(17)18)12(16)15(3)9-4-5-19-6-9/h9,14H,4-6H2,1-3H3,(H,17,18)
InChIKeyQQWOPNGWFJTGJG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.19
Rot. Bonds3

About 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid

3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 82749468) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID82749468
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H18N2O4/c1-7-10(8(2)14-11(7)13(17)18)12(16)15(3)9-4-5-19-6-9/h9,14H,4-6H2,1-3H3,(H,17,18)
InChIKeyQQWOPNGWFJTGJG-UHFFFAOYSA-N
XLogP1.19
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid (CID 82749468) is 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1C(=O)N(C)C1CCOC1.
What is the InChIKey of 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is QQWOPNGWFJTGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-10(8(2)14-11(7)13(17)18)12(16)15(3)9-4-5-19-6-9/h9,14H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid?
3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[methyl(oxolan-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 82749468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).