2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid

C14H14N2O4 — CID 60825080

IUPAC2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
SMILESN#Cc1ccc(OCC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H14N2O4/c15-7-10-1-5-12(6-2-10)20-9-13(17)16(8-14(18)19)11-3-4-11/h1-2,5-6,11H,3-4,8-9H2,(H,18,19)
InChIKeyPFPAQZVTQOAXGF-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.01
Rot. Bonds6

About 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid

2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid (PubChem CID 60825080) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
PubChem CID60825080
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
SMILESN#Cc1ccc(OCC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H14N2O4/c15-7-10-1-5-12(6-2-10)20-9-13(17)16(8-14(18)19)11-3-4-11/h1-2,5-6,11H,3-4,8-9H2,(H,18,19)
InChIKeyPFPAQZVTQOAXGF-UHFFFAOYSA-N
XLogP1.01
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
CID 119194754
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-cyclopropylamino]acetic acid
CID 119195224
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16540663
2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
CID 62982894
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 16540662
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid (CID 60825080) is 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid is N#Cc1ccc(OCC(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid?
The InChIKey is PFPAQZVTQOAXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-7-10-1-5-12(6-2-10)20-9-13(17)16(8-14(18)19)11-3-4-11/h1-2,5-6,11H,3-4,8-9H2,(H,18,19).
What are the key properties of 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid?
2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60825080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).