benzyl 4-amino-3-phenylbutanoate

C17H19NO2 — CID 4192183

IUPACbenzyl 4-amino-3-phenylbutanoate
SMILESNCC(CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c18-12-16(15-9-5-2-6-10-15)11-17(19)20-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2
InChIKeyVUIARNKYBZPFBY-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.86
Rot. Bonds6

About benzyl 4-amino-3-phenylbutanoate

benzyl 4-amino-3-phenylbutanoate (PubChem CID 4192183) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl 4-amino-3-phenylbutanoate.

Molecular Properties

Compound Namebenzyl 4-amino-3-phenylbutanoate
PubChem CID4192183
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl 4-amino-3-phenylbutanoate
SMILESNCC(CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c18-12-16(15-9-5-2-6-10-15)11-17(19)20-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2
InChIKeyVUIARNKYBZPFBY-UHFFFAOYSA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-3-phenylbutanoate?
The IUPAC name of benzyl 4-amino-3-phenylbutanoate (CID 4192183) is benzyl 4-amino-3-phenylbutanoate.
What is the SMILES notation for benzyl 4-amino-3-phenylbutanoate?
The canonical SMILES for benzyl 4-amino-3-phenylbutanoate is NCC(CC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 4-amino-3-phenylbutanoate?
The InChIKey is VUIARNKYBZPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-12-16(15-9-5-2-6-10-15)11-17(19)20-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2.
What are the key properties of benzyl 4-amino-3-phenylbutanoate?
benzyl 4-amino-3-phenylbutanoate has a molecular weight of 269.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-3-phenylbutanoate is sourced from PubChem (CID 4192183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).