3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid

C15H16N2O4 — CID 60844199

IUPAC3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid
SMILESN#Cc1ccccc1OCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C15H16N2O4/c16-9-11-3-1-2-4-13(11)21-10-14(18)17(12-5-6-12)8-7-15(19)20/h1-4,12H,5-8,10H2,(H,19,20)
InChIKeyLDZLLFGHGIPJPL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.40
Rot. Bonds7

About 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid

3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 60844199) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid
PubChem CID60844199
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid
SMILESN#Cc1ccccc1OCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C15H16N2O4/c16-9-11-3-1-2-4-13(11)21-10-14(18)17(12-5-6-12)8-7-15(19)20/h1-4,12H,5-8,10H2,(H,19,20)
InChIKeyLDZLLFGHGIPJPL-UHFFFAOYSA-N
XLogP1.40
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
3-[[2-(2-methylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212252
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60845240
2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60602307
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
3-[cyclopropyl-[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 60845588
3-[[(2R)-2-(2-cyanophenoxy)propanoyl]-(oxan-4-yl)amino]propanoic acid
CID 125151991
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid (CID 60844199) is 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid is N#Cc1ccccc1OCC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is LDZLLFGHGIPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-9-11-3-1-2-4-13(11)21-10-14(18)17(12-5-6-12)8-7-15(19)20/h1-4,12H,5-8,10H2,(H,19,20).
What are the key properties of 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid?
3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60844199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).