4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid

C13H14N2O2 — CID 82288784

IUPAC4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESCc1ccc(C)c(-c2[nH]cc(N)c2C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c1-7-3-4-8(2)9(5-7)12-11(13(16)17)10(14)6-15-12/h3-6,15H,14H2,1-2H3,(H,16,17)
InChIKeyAXZHQYSLYJGLQD-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.58
Rot. Bonds2

About 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid

4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82288784) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID82288784
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESCc1ccc(C)c(-c2[nH]cc(N)c2C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c1-7-3-4-8(2)9(5-7)12-11(13(16)17)10(14)6-15-12/h3-6,15H,14H2,1-2H3,(H,16,17)
InChIKeyAXZHQYSLYJGLQD-UHFFFAOYSA-N
XLogP2.58
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid (CID 82288784) is 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid is Cc1ccc(C)c(-c2[nH]cc(N)c2C(=O)O)c1.
What is the InChIKey of 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is AXZHQYSLYJGLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-3-4-8(2)9(5-7)12-11(13(16)17)10(14)6-15-12/h3-6,15H,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid?
4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82288784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).