2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid

C13H14N2O4 — CID 43092177

IUPAC2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H14N2O4/c1-9(13(18)15(2)8-12(16)17)19-11-5-3-10(7-14)4-6-11/h3-6,9H,8H2,1-2H3,(H,16,17)
InChIKeyIMOAUMCAHFFDJP-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.87
Rot. Bonds5

About 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid

2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid (PubChem CID 43092177) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
PubChem CID43092177
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H14N2O4/c1-9(13(18)15(2)8-12(16)17)19-11-5-3-10(7-14)4-6-11/h3-6,9H,8H2,1-2H3,(H,16,17)
InChIKeyIMOAUMCAHFFDJP-UHFFFAOYSA-N
XLogP0.87
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 16546591
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
CID 34737309
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
CID 27863638

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid (CID 43092177) is 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid is CC(Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid?
The InChIKey is IMOAUMCAHFFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-9(13(18)15(2)8-12(16)17)19-11-5-3-10(7-14)4-6-11/h3-6,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid?
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 43092177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).