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

C15H20N2O3 — CID 61114412

IUPACethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)10-17(12-7-8-12)14(18)9-11-5-3-4-6-13(11)16/h3-6,12H,2,7-10,16H2,1H3
InChIKeyRCGYGBRBQJZGNR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.37
Rot. Bonds6

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

ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate (PubChem CID 61114412) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
PubChem CID61114412
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)10-17(12-7-8-12)14(18)9-11-5-3-4-6-13(11)16/h3-6,12H,2,7-10,16H2,1H3
InChIKeyRCGYGBRBQJZGNR-UHFFFAOYSA-N
XLogP1.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
CID 61114031
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
CID 61410098
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
CID 54984137
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate (CID 61114412) is ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)Cc1ccccc1N)C1CC1.
What is the InChIKey of ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate?
The InChIKey is RCGYGBRBQJZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)10-17(12-7-8-12)14(18)9-11-5-3-4-6-13(11)16/h3-6,12H,2,7-10,16H2,1H3.
What are the key properties of ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate?
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate is sourced from PubChem (CID 61114412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).