2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid

C14H16N2O4 — CID 43469183

IUPAC2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
SMILESCCC(NC(=O)C(C)Oc1ccccc1C#N)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-3-11(14(18)19)16-13(17)9(2)20-12-7-5-4-6-10(12)8-15/h4-7,9,11H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBLRDKPBXSWXEEC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.30
Rot. Bonds6

About 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid

2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid (PubChem CID 43469183) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
PubChem CID43469183
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
SMILESCCC(NC(=O)C(C)Oc1ccccc1C#N)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-3-11(14(18)19)16-13(17)9(2)20-12-7-5-4-6-10(12)8-15/h4-7,9,11H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBLRDKPBXSWXEEC-UHFFFAOYSA-N
XLogP1.30
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
CID 120701997
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
CID 46597620
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
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-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid?
The IUPAC name of 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid (CID 43469183) is 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid.
What is the SMILES notation for 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid?
The canonical SMILES for 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid is CCC(NC(=O)C(C)Oc1ccccc1C#N)C(=O)O.
What is the InChIKey of 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid?
The InChIKey is BLRDKPBXSWXEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-11(14(18)19)16-13(17)9(2)20-12-7-5-4-6-10(12)8-15/h4-7,9,11H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid?
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 43469183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).