(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid

C9H7NO3 — CID 67741603

IUPAC(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
SMILESN#Cc1ccc([C@@H](O)C(=O)O)cc1
InChIInChI=1S/C9H7NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8,11H,(H,12,13)/t8-/m1/s1
InChIKeyWNSURQHMHJSIGA-MRVPVSSYSA-N
MW177.16 g/mol
LogP0.68
Rot. Bonds2

About (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid

(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid (PubChem CID 67741603) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
PubChem CID67741603
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
SMILESN#Cc1ccc([C@@H](O)C(=O)O)cc1
InChIInChI=1S/C9H7NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8,11H,(H,12,13)/t8-/m1/s1
InChIKeyWNSURQHMHJSIGA-MRVPVSSYSA-N
XLogP0.68
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
2-chloro-2-(4-cyanophenyl)acetic acid
CID 89396840
(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
CID 57364978
bis(benzonitrile);2,3-dihydroxybutanedioic acid
CID 174576912
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid (CID 67741603) is (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid is N#Cc1ccc([C@@H](O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid?
The InChIKey is WNSURQHMHJSIGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8,11H,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid?
(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid has a molecular weight of 177.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 67741603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).