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

C15H18N2O5 — CID 120701997

IUPAC2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C(C)Oc1ccccc1C#N)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-10(22-13-6-4-3-5-11(13)9-16)14(18)17-12(15(19)20)7-8-21-2/h3-6,10,12H,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySONGYDXWRINOTF-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.93
Rot. Bonds8

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

2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid (PubChem CID 120701997) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
PubChem CID120701997
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C(C)Oc1ccccc1C#N)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-10(22-13-6-4-3-5-11(13)9-16)14(18)17-12(15(19)20)7-8-21-2/h3-6,10,12H,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySONGYDXWRINOTF-UHFFFAOYSA-N
XLogP0.93
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
CID 46597620
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716433
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid (CID 120701997) is 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid is COCCC(NC(=O)C(C)Oc1ccccc1C#N)C(=O)O.
What is the InChIKey of 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid?
The InChIKey is SONGYDXWRINOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-10(22-13-6-4-3-5-11(13)9-16)14(18)17-12(15(19)20)7-8-21-2/h3-6,10,12H,7-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid?
2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid has a molecular weight of 306.32 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 120701997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).