4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid

C14H16N2O2 — CID 82294197

IUPAC4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESCC(C)c1ccc(-c2[nH]cc(N)c2C(=O)O)cc1
InChIInChI=1S/C14H16N2O2/c1-8(2)9-3-5-10(6-4-9)13-12(14(17)18)11(15)7-16-13/h3-8,16H,15H2,1-2H3,(H,17,18)
InChIKeyKUODXDVHWDACBU-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.09
Rot. Bonds3

About 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid

4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82294197) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID82294197
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESCC(C)c1ccc(-c2[nH]cc(N)c2C(=O)O)cc1
InChIInChI=1S/C14H16N2O2/c1-8(2)9-3-5-10(6-4-9)13-12(14(17)18)11(15)7-16-13/h3-8,16H,15H2,1-2H3,(H,17,18)
InChIKeyKUODXDVHWDACBU-UHFFFAOYSA-N
XLogP3.09
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid (CID 82294197) is 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid is CC(C)c1ccc(-c2[nH]cc(N)c2C(=O)O)cc1.
What is the InChIKey of 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is KUODXDVHWDACBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(2)9-3-5-10(6-4-9)13-12(14(17)18)11(15)7-16-13/h3-8,16H,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid?
4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-propan-2-ylphenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82294197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).