(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid

C12H11NO3 — CID 129389879

IUPAC(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid
SMILESO=C(O)[C@H](O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H11NO3/c14-11(12(15)16)9-3-5-10(6-4-9)13-7-1-2-8-13/h1-8,11,14H,(H,15,16)/t11-/m1/s1
InChIKeyQNRIEZDCMAHCMJ-LLVKDONJSA-N
MW217.22 g/mol
LogP1.60
Rot. Bonds3

About (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid

(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid (PubChem CID 129389879) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid
PubChem CID129389879
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid
SMILESO=C(O)[C@H](O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H11NO3/c14-11(12(15)16)9-3-5-10(6-4-9)13-7-1-2-8-13/h1-8,11,14H,(H,15,16)/t11-/m1/s1
InChIKeyQNRIEZDCMAHCMJ-LLVKDONJSA-N
XLogP1.60
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid (CID 129389879) is (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid is O=C(O)[C@H](O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid?
The InChIKey is QNRIEZDCMAHCMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11(12(15)16)9-3-5-10(6-4-9)13-7-1-2-8-13/h1-8,11,14H,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid?
(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid is sourced from PubChem (CID 129389879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).