ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate

C13H17NO3 — CID 171725944

IUPACethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
SMILESCCOC(=O)CONC1Cc2ccccc2C1
InChIInChI=1S/C13H17NO3/c1-2-16-13(15)9-17-14-12-7-10-5-3-4-6-11(10)8-12/h3-6,12,14H,2,7-9H2,1H3
InChIKeyNVPHBRPGUGHGDK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.24
Rot. Bonds5

About ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate

ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate (PubChem CID 171725944) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
PubChem CID171725944
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
SMILESCCOC(=O)CONC1Cc2ccccc2C1
InChIInChI=1S/C13H17NO3/c1-2-16-13(15)9-17-14-12-7-10-5-3-4-6-11(10)8-12/h3-6,12,14H,2,7-9H2,1H3
InChIKeyNVPHBRPGUGHGDK-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate (CID 171725944) is ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate is CCOC(=O)CONC1Cc2ccccc2C1.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate?
The InChIKey is NVPHBRPGUGHGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-16-13(15)9-17-14-12-7-10-5-3-4-6-11(10)8-12/h3-6,12,14H,2,7-9H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate?
ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate has a molecular weight of 235.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate is sourced from PubChem (CID 171725944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).