2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid

C14H16N2O4 — CID 60832205

IUPAC2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COc1ccccc1C#N
InChIInChI=1S/C14H16N2O4/c1-10(2)16(8-14(18)19)13(17)9-20-12-6-4-3-5-11(12)7-15/h3-6,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyDBJMGKPUASRNEA-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.26
Rot. Bonds6

About 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 60832205) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
PubChem CID60832205
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COc1ccccc1C#N
InChIInChI=1S/C14H16N2O4/c1-10(2)16(8-14(18)19)13(17)9-20-12-6-4-3-5-11(12)7-15/h3-6,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyDBJMGKPUASRNEA-UHFFFAOYSA-N
XLogP1.26
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198036
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
3-[[2-(2-cyanophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62827727
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115636256
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60844199
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid (CID 60832205) is 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is DBJMGKPUASRNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(2)16(8-14(18)19)13(17)9-20-12-6-4-3-5-11(12)7-15/h3-6,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).