5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C12H13NO3 — CID 70185796

IUPAC5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(O)c(C2=CCC(C(=O)O)N2)c1
InChIInChI=1S/C12H13NO3/c1-7-2-5-11(14)8(6-7)9-3-4-10(13-9)12(15)16/h2-3,5-6,10,13-14H,4H2,1H3,(H,15,16)
InChIKeyJVLOYUOYAWVVTK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.49
Rot. Bonds2

About 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 70185796) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID70185796
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(O)c(C2=CCC(C(=O)O)N2)c1
InChIInChI=1S/C12H13NO3/c1-7-2-5-11(14)8(6-7)9-3-4-10(13-9)12(15)16/h2-3,5-6,10,13-14H,4H2,1H3,(H,15,16)
InChIKeyJVLOYUOYAWVVTK-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 70185796) is 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is Cc1ccc(O)c(C2=CCC(C(=O)O)N2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is JVLOYUOYAWVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-2-5-11(14)8(6-7)9-3-4-10(13-9)12(15)16/h2-3,5-6,10,13-14H,4H2,1H3,(H,15,16).
What are the key properties of 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 70185796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).