ethyl 3-amino-5-phenylpentanoate

C13H19NO2 — CID 15696575

IUPACethyl 3-amino-5-phenylpentanoate
SMILESCCOC(=O)CC(N)CCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3
InChIKeyXOTDONLNWOOEMI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds6

About ethyl 3-amino-5-phenylpentanoate

ethyl 3-amino-5-phenylpentanoate (PubChem CID 15696575) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 3-amino-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 3-amino-5-phenylpentanoate
PubChem CID15696575
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 3-amino-5-phenylpentanoate
SMILESCCOC(=O)CC(N)CCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3
InChIKeyXOTDONLNWOOEMI-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-phenylpentanoate?
The IUPAC name of ethyl 3-amino-5-phenylpentanoate (CID 15696575) is ethyl 3-amino-5-phenylpentanoate.
What is the SMILES notation for ethyl 3-amino-5-phenylpentanoate?
The canonical SMILES for ethyl 3-amino-5-phenylpentanoate is CCOC(=O)CC(N)CCc1ccccc1.
What is the InChIKey of ethyl 3-amino-5-phenylpentanoate?
The InChIKey is XOTDONLNWOOEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3.
What are the key properties of ethyl 3-amino-5-phenylpentanoate?
ethyl 3-amino-5-phenylpentanoate has a molecular weight of 221.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-phenylpentanoate is sourced from PubChem (CID 15696575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).