(4-phenoxyphenyl) 3-aminopropanoate

C15H15NO3 — CID 94272044

IUPAC(4-phenoxyphenyl) 3-aminopropanoate
SMILESNCCC(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c16-11-10-15(17)19-14-8-6-13(7-9-14)18-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeyBGYXUANUZVZRGH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds5

About (4-phenoxyphenyl) 3-aminopropanoate

(4-phenoxyphenyl) 3-aminopropanoate (PubChem CID 94272044) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (4-phenoxyphenyl) 3-aminopropanoate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 3-aminopropanoate
PubChem CID94272044
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(4-phenoxyphenyl) 3-aminopropanoate
SMILESNCCC(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c16-11-10-15(17)19-14-8-6-13(7-9-14)18-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeyBGYXUANUZVZRGH-UHFFFAOYSA-N
XLogP2.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-aminopropanoate;hydrochloride
CID 67243612
phenyl 4-aminobutanoate
CID 54753951
phenyl 6-aminohexanoate
CID 67610552
methyl 2-aminoacetate;bis(methyl 3-aminopropanoate);phenyl 2-aminoacetate
CID 157086326
naphthalen-2-yl 3-aminopropanoate
CID 82113672
diphenyl nonanedioate
CID 18428919
phenyl 4-fluorobutanoate
CID 58272686
phenyl 4-aminobutanoate;2,2,2-trifluoroacetic acid
CID 54753950
phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
(3,4-difluorophenyl) 3-aminopropanoate
CID 82112405

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 3-aminopropanoate?
The IUPAC name of (4-phenoxyphenyl) 3-aminopropanoate (CID 94272044) is (4-phenoxyphenyl) 3-aminopropanoate.
What is the SMILES notation for (4-phenoxyphenyl) 3-aminopropanoate?
The canonical SMILES for (4-phenoxyphenyl) 3-aminopropanoate is NCCC(=O)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) 3-aminopropanoate?
The InChIKey is BGYXUANUZVZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c16-11-10-15(17)19-14-8-6-13(7-9-14)18-12-4-2-1-3-5-12/h1-9H,10-11,16H2.
What are the key properties of (4-phenoxyphenyl) 3-aminopropanoate?
(4-phenoxyphenyl) 3-aminopropanoate has a molecular weight of 257.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 3-aminopropanoate is sourced from PubChem (CID 94272044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).