(2S)-2-(4-cyanophenoxy)propanoic acid

C10H9NO3 — CID 7127729

IUPAC(2S)-2-(4-cyanophenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C10H9NO3/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,12,13)/t7-/m0/s1
InChIKeyKXNITAHHTSHYPY-ZETCQYMHSA-N
MW191.19 g/mol
LogP1.41
Rot. Bonds3

About (2S)-2-(4-cyanophenoxy)propanoic acid

(2S)-2-(4-cyanophenoxy)propanoic acid (PubChem CID 7127729) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)propanoic acid
PubChem CID7127729
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(2S)-2-(4-cyanophenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C10H9NO3/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,12,13)/t7-/m0/s1
InChIKeyKXNITAHHTSHYPY-ZETCQYMHSA-N
XLogP1.41
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 18408215
(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 22890132
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
(2S)-2-[2-(4-cyanophenoxy)ethoxy]propanoic acid
CID 104875948
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)propanoic acid?
The IUPAC name of (2S)-2-(4-cyanophenoxy)propanoic acid (CID 7127729) is (2S)-2-(4-cyanophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)propanoic acid is C[C@H](Oc1ccc(C#N)cc1)C(=O)O.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)propanoic acid?
The InChIKey is KXNITAHHTSHYPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9NO3/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)propanoic acid?
(2S)-2-(4-cyanophenoxy)propanoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)propanoic acid is sourced from PubChem (CID 7127729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).