2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid

C12H13NO2 — CID 67904811

IUPAC2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1C=CCC1
InChIInChI=1S/C12H13NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2,(H,14,15)
InChIKeyDIZRZXIMGPDVSP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.03
Rot. Bonds3

About 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid

2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid (PubChem CID 67904811) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
PubChem CID67904811
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1C=CCC1
InChIInChI=1S/C12H13NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2,(H,14,15)
InChIKeyDIZRZXIMGPDVSP-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydropyrrol-1-yl)-2-phenylacetaldehyde
CID 174678253
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
CID 24688909
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
CID 66391933
2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
CID 79687237
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid (CID 67904811) is 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1C=CCC1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid?
The InChIKey is DIZRZXIMGPDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2,(H,14,15).
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid?
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid has a molecular weight of 203.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 67904811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).