(2S)-2-phenyl-2-pyrrol-1-ylacetic acid

C12H11NO2 — CID 13267971

IUPAC(2S)-2-phenyl-2-pyrrol-1-ylacetic acid
SMILESO=C(O)[C@H](c1ccccc1)n1cccc1
InChIInChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1
InChIKeyFNRJAIIHCKGTCV-NSHDSACASA-N
MW201.23 g/mol
LogP2.16
Rot. Bonds3

About (2S)-2-phenyl-2-pyrrol-1-ylacetic acid

(2S)-2-phenyl-2-pyrrol-1-ylacetic acid (PubChem CID 13267971) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-phenyl-2-pyrrol-1-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-pyrrol-1-ylacetic acid
PubChem CID13267971
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(2S)-2-phenyl-2-pyrrol-1-ylacetic acid
SMILESO=C(O)[C@H](c1ccccc1)n1cccc1
InChIInChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1
InChIKeyFNRJAIIHCKGTCV-NSHDSACASA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-phenyl-2-pyrrol-1-ylacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-pyrrol-1-ylacetic acid?
The IUPAC name of (2S)-2-phenyl-2-pyrrol-1-ylacetic acid (CID 13267971) is (2S)-2-phenyl-2-pyrrol-1-ylacetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-pyrrol-1-ylacetic acid?
The canonical SMILES for (2S)-2-phenyl-2-pyrrol-1-ylacetic acid is O=C(O)[C@H](c1ccccc1)n1cccc1.
What is the InChIKey of (2S)-2-phenyl-2-pyrrol-1-ylacetic acid?
The InChIKey is FNRJAIIHCKGTCV-NSHDSACASA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-pyrrol-1-ylacetic acid?
(2S)-2-phenyl-2-pyrrol-1-ylacetic acid has a molecular weight of 201.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-pyrrol-1-ylacetic acid is sourced from PubChem (CID 13267971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).