ethyl 5-(benzylamino)pentanoate

C14H21NO2 — CID 3238374

IUPACethyl 5-(benzylamino)pentanoate
SMILESCCOC(=O)CCCCNCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-17-14(16)10-6-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3
InChIKeyCCEGDRQLOIQHLF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.51
Rot. Bonds8

About ethyl 5-(benzylamino)pentanoate

ethyl 5-(benzylamino)pentanoate (PubChem CID 3238374) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 5-(benzylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(benzylamino)pentanoate
PubChem CID3238374
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 5-(benzylamino)pentanoate
SMILESCCOC(=O)CCCCNCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-17-14(16)10-6-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3
InChIKeyCCEGDRQLOIQHLF-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylamino)pentanoate?
The IUPAC name of ethyl 5-(benzylamino)pentanoate (CID 3238374) is ethyl 5-(benzylamino)pentanoate.
What is the SMILES notation for ethyl 5-(benzylamino)pentanoate?
The canonical SMILES for ethyl 5-(benzylamino)pentanoate is CCOC(=O)CCCCNCc1ccccc1.
What is the InChIKey of ethyl 5-(benzylamino)pentanoate?
The InChIKey is CCEGDRQLOIQHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14(16)10-6-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 5-(benzylamino)pentanoate?
ethyl 5-(benzylamino)pentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylamino)pentanoate is sourced from PubChem (CID 3238374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).