(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid

C11H11NO4 — CID 22890132

IUPAC(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid
SMILESCC(O)[C@@H](Oc1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C11H11NO4/c1-7(13)10(11(14)15)16-9-4-2-8(6-12)3-5-9/h2-5,7,10,13H,1H3,(H,14,15)/t7?,10-/m1/s1
InChIKeyIDIKRGVESNVWDM-OMNKOJBGSA-N
MW221.21 g/mol
LogP0.77
Rot. Bonds4

About (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid

(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid (PubChem CID 22890132) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid
PubChem CID22890132
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid
SMILESCC(O)[C@@H](Oc1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C11H11NO4/c1-7(13)10(11(14)15)16-9-4-2-8(6-12)3-5-9/h2-5,7,10,13H,1H3,(H,14,15)/t7?,10-/m1/s1
InChIKeyIDIKRGVESNVWDM-OMNKOJBGSA-N
XLogP0.77
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 18408215
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-3-hydroxypentanoic acid
CID 18408234
(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid
CID 131860776
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid (CID 22890132) is (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid is CC(O)[C@@H](Oc1ccc(C#N)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid?
The InChIKey is IDIKRGVESNVWDM-OMNKOJBGSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7(13)10(11(14)15)16-9-4-2-8(6-12)3-5-9/h2-5,7,10,13H,1H3,(H,14,15)/t7?,10-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid?
(2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid has a molecular weight of 221.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-3-hydroxybutanoic acid is sourced from PubChem (CID 22890132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).