ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate

C15H22N2O2 — CID 114456571

IUPACethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCc2cccc(N)c21
InChIInChI=1S/C15H22N2O2/c1-3-6-13(15(18)19-4-2)17-10-9-11-7-5-8-12(16)14(11)17/h5,7-8,13H,3-4,6,9-10,16H2,1-2H3
InChIKeyGUSNYSLMAPBHFD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.36
Rot. Bonds5

About ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate

ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate (PubChem CID 114456571) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate
PubChem CID114456571
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCc2cccc(N)c21
InChIInChI=1S/C15H22N2O2/c1-3-6-13(15(18)19-4-2)17-10-9-11-7-5-8-12(16)14(11)17/h5,7-8,13H,3-4,6,9-10,16H2,1-2H3
InChIKeyGUSNYSLMAPBHFD-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate?
The IUPAC name of ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate (CID 114456571) is ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCc2cccc(N)c21.
What is the InChIKey of ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate?
The InChIKey is GUSNYSLMAPBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-6-13(15(18)19-4-2)17-10-9-11-7-5-8-12(16)14(11)17/h5,7-8,13H,3-4,6,9-10,16H2,1-2H3.
What are the key properties of ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate?
ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate has a molecular weight of 262.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate is sourced from PubChem (CID 114456571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).