4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid

C15H17NO2 — CID 169444011

IUPAC4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
SMILESCc1cc(C(=O)O)n(C(C)Cc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-11-8-14(15(17)18)16(10-11)12(2)9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,17,18)
InChIKeyHNDQXGSZBDONOY-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.30
Rot. Bonds4

About 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid

4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid (PubChem CID 169444011) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
PubChem CID169444011
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
SMILESCc1cc(C(=O)O)n(C(C)Cc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-11-8-14(15(17)18)16(10-11)12(2)9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,17,18)
InChIKeyHNDQXGSZBDONOY-UHFFFAOYSA-N
XLogP3.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114605284
4-iodo-1-(4-phenylbutan-2-yl)pyrrole-2-carboxylic acid
CID 114604705
1-[(2S)-1-phenylpropan-2-yl]triazole-4-carboxylic acid
CID 129494665
4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106571858
3-(1-phenylpropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933338
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571835
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
5-benzyl-1-butan-2-ylpyrrole-2-carboxylic acid
CID 133197557
1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399548
2,4-bis(2,6-dimethyl-4-pyridinyl)-1,5-diphenylpentan-3-one
CID 150680372
N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 75399474

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid (CID 169444011) is 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid is Cc1cc(C(=O)O)n(C(C)Cc2ccccc2)c1.
What is the InChIKey of 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid?
The InChIKey is HNDQXGSZBDONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-8-14(15(17)18)16(10-11)12(2)9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid?
4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 169444011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).