3-(4-cyanophenyl)-3-hydroxypropanoic acid

C10H9NO3 — CID 89195276

IUPAC3-(4-cyanophenyl)-3-hydroxypropanoic acid
SMILESN#Cc1ccc(C(O)CC(=O)O)cc1
InChIInChI=1S/C10H9NO3/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-4,9,12H,5H2,(H,13,14)
InChIKeyHMKRAAMHHKRJLJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.07
Rot. Bonds3

About 3-(4-cyanophenyl)-3-hydroxypropanoic acid

3-(4-cyanophenyl)-3-hydroxypropanoic acid (PubChem CID 89195276) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-cyanophenyl)-3-hydroxypropanoic acid
PubChem CID89195276
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(4-cyanophenyl)-3-hydroxypropanoic acid
SMILESN#Cc1ccc(C(O)CC(=O)O)cc1
InChIInChI=1S/C10H9NO3/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-4,9,12H,5H2,(H,13,14)
InChIKeyHMKRAAMHHKRJLJ-UHFFFAOYSA-N
XLogP1.07
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-cyanophenyl)pentanoic acid
CID 46932273
4-[3-(furan-2-yl)-1-hydroxy-3-oxopropyl]benzonitrile
CID 22297935
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
CID 67741603
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 69173053
[(carboxyamino)-(4-cyanophenyl)methyl]carbamic acid
CID 90310855
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
3-amino-4-[1-(4-cyanophenyl)ethylamino]-4-oxobutanoic acid
CID 64897049
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
CID 57364978
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(4-cyanophenyl)-3-hydroxypropanoic acid (CID 89195276) is 3-(4-cyanophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-cyanophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(4-cyanophenyl)-3-hydroxypropanoic acid is N#Cc1ccc(C(O)CC(=O)O)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-3-hydroxypropanoic acid?
The InChIKey is HMKRAAMHHKRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-4,9,12H,5H2,(H,13,14).
What are the key properties of 3-(4-cyanophenyl)-3-hydroxypropanoic acid?
3-(4-cyanophenyl)-3-hydroxypropanoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 89195276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).