ethyl 5-methoxy-2-nitroso-5-phenylpentanoate

C14H19NO4 — CID 54367486

IUPACethyl 5-methoxy-2-nitroso-5-phenylpentanoate
SMILESCCOC(=O)C(CCC(OC)c1ccccc1)N=O
InChIInChI=1S/C14H19NO4/c1-3-19-14(16)12(15-17)9-10-13(18-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyUQTVCDDRUSGVAD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.85
Rot. Bonds8

About ethyl 5-methoxy-2-nitroso-5-phenylpentanoate

ethyl 5-methoxy-2-nitroso-5-phenylpentanoate (PubChem CID 54367486) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 5-methoxy-2-nitroso-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-nitroso-5-phenylpentanoate
PubChem CID54367486
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 5-methoxy-2-nitroso-5-phenylpentanoate
SMILESCCOC(=O)C(CCC(OC)c1ccccc1)N=O
InChIInChI=1S/C14H19NO4/c1-3-19-14(16)12(15-17)9-10-13(18-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyUQTVCDDRUSGVAD-UHFFFAOYSA-N
XLogP2.85
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl (2R)-2-amino-2-phenylacetate
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ethyl 2-benzhydryloxypentanoate
CID 22159721
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-nitroso-5-phenylpentanoate?
The IUPAC name of ethyl 5-methoxy-2-nitroso-5-phenylpentanoate (CID 54367486) is ethyl 5-methoxy-2-nitroso-5-phenylpentanoate.
What is the SMILES notation for ethyl 5-methoxy-2-nitroso-5-phenylpentanoate?
The canonical SMILES for ethyl 5-methoxy-2-nitroso-5-phenylpentanoate is CCOC(=O)C(CCC(OC)c1ccccc1)N=O.
What is the InChIKey of ethyl 5-methoxy-2-nitroso-5-phenylpentanoate?
The InChIKey is UQTVCDDRUSGVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-14(16)12(15-17)9-10-13(18-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3.
What are the key properties of ethyl 5-methoxy-2-nitroso-5-phenylpentanoate?
ethyl 5-methoxy-2-nitroso-5-phenylpentanoate has a molecular weight of 265.31 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-nitroso-5-phenylpentanoate is sourced from PubChem (CID 54367486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).