ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate

C15H20N2O4 — CID 61114031

IUPACethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccccc1N)C1CC1
InChIInChI=1S/C15H20N2O4/c1-2-20-15(19)9-17(11-7-8-11)14(18)10-21-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10,16H2,1H3
InChIKeyGKEHGWCVIJOYFH-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.20
Rot. Bonds7

About ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate

ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate (PubChem CID 61114031) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
PubChem CID61114031
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccccc1N)C1CC1
InChIInChI=1S/C15H20N2O4/c1-2-20-15(19)9-17(11-7-8-11)14(18)10-21-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10,16H2,1H3
InChIKeyGKEHGWCVIJOYFH-UHFFFAOYSA-N
XLogP1.20
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 2-(2-aminophenoxy)acetate
CID 61488778
2-(2-aminophenoxy)-N-butyl-N-cyclopropylacetamide
CID 61106387
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-(2-aminophenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 43587192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate (CID 61114031) is ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)COc1ccccc1N)C1CC1.
What is the InChIKey of ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate?
The InChIKey is GKEHGWCVIJOYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-20-15(19)9-17(11-7-8-11)14(18)10-21-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10,16H2,1H3.
What are the key properties of ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate?
ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate has a molecular weight of 292.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate is sourced from PubChem (CID 61114031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).