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

C11H11NO4 — CID 69173053

IUPAC(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
SMILESN#Cc1ccc(OC[C@H](O)CC(=O)O)cc1
InChIInChI=1S/C11H11NO4/c12-6-8-1-3-10(4-2-8)16-7-9(13)5-11(14)15/h1-4,9,13H,5,7H2,(H,14,15)/t9-/m1/s1
InChIKeyZLTPAIXSMORUQM-SECBINFHSA-N
MW221.21 g/mol
LogP0.77
Rot. Bonds5

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

(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid (PubChem CID 69173053) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
PubChem CID69173053
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
SMILESN#Cc1ccc(OC[C@H](O)CC(=O)O)cc1
InChIInChI=1S/C11H11NO4/c12-6-8-1-3-10(4-2-8)16-7-9(13)5-11(14)15/h1-4,9,13H,5,7H2,(H,14,15)/t9-/m1/s1
InChIKeyZLTPAIXSMORUQM-SECBINFHSA-N
XLogP0.77
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990717
4-[(2R)-2-hydroxyhexoxy]benzonitrile
CID 139777729
4-[(2S)-2-hydroxy-3-[[(2R)-3-methylbutan-2-yl]amino]propoxy]benzonitrile
CID 93381110
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276
4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
CID 109412889
4-[[4-(2,3-dihydroxypropoxy)phenyl]diazenyl]benzonitrile
CID 71356146
4-[2-hydroxy-3-(1-hydroxypropan-2-ylamino)propoxy]benzonitrile
CID 60908540
2-[[2-(4-cyanophenoxy)acetyl]amino]butanedioic acid
CID 78910236
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
4-[2-hydroxy-3-(4-methylpentan-2-ylamino)propoxy]benzonitrile
CID 60902011

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid?
The IUPAC name of (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid (CID 69173053) is (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid.
What is the SMILES notation for (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid?
The canonical SMILES for (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid is N#Cc1ccc(OC[C@H](O)CC(=O)O)cc1.
What is the InChIKey of (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid?
The InChIKey is ZLTPAIXSMORUQM-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO4/c12-6-8-1-3-10(4-2-8)16-7-9(13)5-11(14)15/h1-4,9,13H,5,7H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid?
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid has a molecular weight of 221.21 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid is sourced from PubChem (CID 69173053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).