2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid

C14H15NO2 — CID 115037150

IUPAC2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
SMILESCc1ccccc1C(C(=O)O)c1cccn1C
InChIInChI=1S/C14H15NO2/c1-10-6-3-4-7-11(10)13(14(16)17)12-8-5-9-15(12)2/h3-9,13H,1-2H3,(H,16,17)
InChIKeyVXQVKJQNOYUBID-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid

2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid (PubChem CID 115037150) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
PubChem CID115037150
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
SMILESCc1ccccc1C(C(=O)O)c1cccn1C
InChIInChI=1S/C14H15NO2/c1-10-6-3-4-7-11(10)13(14(16)17)12-8-5-9-15(12)2/h3-9,13H,1-2H3,(H,16,17)
InChIKeyVXQVKJQNOYUBID-UHFFFAOYSA-N
XLogP2.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
CID 115038136
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
acetic acid;(2-methylphenyl)methanediol
CID 71361235
4-(1-methylpyrrol-2-yl)-4-phenylbutan-2-one
CID 102404112
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
dimethyl 2-(1-methylpyrrol-2-yl)propanedioate
CID 12794094
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
CID 15504285
2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 79472078

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
The IUPAC name of 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid (CID 115037150) is 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid is Cc1ccccc1C(C(=O)O)c1cccn1C.
What is the InChIKey of 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
The InChIKey is VXQVKJQNOYUBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-6-3-4-7-11(10)13(14(16)17)12-8-5-9-15(12)2/h3-9,13H,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid has a molecular weight of 229.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid is sourced from PubChem (CID 115037150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).