4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid

C14H16N2O5 — CID 107832580

IUPAC4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-9(13(18)16-7-6-12(17)14(19)20)21-11-4-2-10(8-15)3-5-11/h2-5,9,12,17H,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyFBWBOJMIAPSSIG-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.28
Rot. Bonds7

About 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid

4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid (PubChem CID 107832580) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
PubChem CID107832580
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-9(13(18)16-7-6-12(17)14(19)20)21-11-4-2-10(8-15)3-5-11/h2-5,9,12,17H,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyFBWBOJMIAPSSIG-UHFFFAOYSA-N
XLogP0.28
TPSA119.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449643
2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716354
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid (CID 107832580) is 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid is CC(Oc1ccc(C#N)cc1)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid?
The InChIKey is FBWBOJMIAPSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(13(18)16-7-6-12(17)14(19)20)21-11-4-2-10(8-15)3-5-11/h2-5,9,12,17H,6-7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid?
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).