benzyl 5-amino-5-oxo-3-phenylpentanoate

C18H19NO3 — CID 563203

IUPACbenzyl 5-amino-5-oxo-3-phenylpentanoate
SMILESNC(=O)CC(CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c19-17(20)11-16(15-9-5-2-6-10-15)12-18(21)22-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,19,20)
InChIKeyCMDYCWKIQKQLQA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds7

About benzyl 5-amino-5-oxo-3-phenylpentanoate

benzyl 5-amino-5-oxo-3-phenylpentanoate (PubChem CID 563203) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl 5-amino-5-oxo-3-phenylpentanoate.

Molecular Properties

Compound Namebenzyl 5-amino-5-oxo-3-phenylpentanoate
PubChem CID563203
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl 5-amino-5-oxo-3-phenylpentanoate
SMILESNC(=O)CC(CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c19-17(20)11-16(15-9-5-2-6-10-15)12-18(21)22-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,19,20)
InChIKeyCMDYCWKIQKQLQA-UHFFFAOYSA-N
XLogP2.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-amino-5-oxo-3-phenylpentanoate?
The IUPAC name of benzyl 5-amino-5-oxo-3-phenylpentanoate (CID 563203) is benzyl 5-amino-5-oxo-3-phenylpentanoate.
What is the SMILES notation for benzyl 5-amino-5-oxo-3-phenylpentanoate?
The canonical SMILES for benzyl 5-amino-5-oxo-3-phenylpentanoate is NC(=O)CC(CC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 5-amino-5-oxo-3-phenylpentanoate?
The InChIKey is CMDYCWKIQKQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-17(20)11-16(15-9-5-2-6-10-15)12-18(21)22-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,19,20).
What are the key properties of benzyl 5-amino-5-oxo-3-phenylpentanoate?
benzyl 5-amino-5-oxo-3-phenylpentanoate has a molecular weight of 297.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-amino-5-oxo-3-phenylpentanoate is sourced from PubChem (CID 563203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).