phenyl 2-azido-3-phenylpropanoate

C15H13N3O2 — CID 75291356

IUPACphenyl 2-azido-3-phenylpropanoate
SMILES[N-]=[N+]=NC(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-18-17-14(11-12-7-3-1-4-8-12)15(19)20-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyRZTBNYLKUVRJCN-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.51
Rot. Bonds5

About phenyl 2-azido-3-phenylpropanoate

phenyl 2-azido-3-phenylpropanoate (PubChem CID 75291356) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is phenyl 2-azido-3-phenylpropanoate.

Molecular Properties

Compound Namephenyl 2-azido-3-phenylpropanoate
PubChem CID75291356
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namephenyl 2-azido-3-phenylpropanoate
SMILES[N-]=[N+]=NC(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-18-17-14(11-12-7-3-1-4-8-12)15(19)20-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyRZTBNYLKUVRJCN-UHFFFAOYSA-N
XLogP3.51
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

phenyl (2S)-3-phenyl-2-thionitrosopropanoate;hydrochloride
CID 88771740
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phenyl 2-(azidomethyl)-3-chloropropanoate
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CID 167638546
(4-fluorophenyl) (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
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(2S)-2-azido-3-(4-fluorophenyl)propanoic acid
CID 59552594
(2S)-2-azido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
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azido 2-amino-3-phenylpropanoate
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benzyl (2S)-2-azido-3-(1H-indol-3-yl)propanoate
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(2S)-2-azido-3-phenylpropanoate;dicyclohexylazanium
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2-(1-azidoethoxyamino)-3-phenylpropanoic acid
CID 155060290

Frequently Asked Questions

What is the IUPAC name of phenyl 2-azido-3-phenylpropanoate?
The IUPAC name of phenyl 2-azido-3-phenylpropanoate (CID 75291356) is phenyl 2-azido-3-phenylpropanoate.
What is the SMILES notation for phenyl 2-azido-3-phenylpropanoate?
The canonical SMILES for phenyl 2-azido-3-phenylpropanoate is [N-]=[N+]=NC(Cc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-azido-3-phenylpropanoate?
The InChIKey is RZTBNYLKUVRJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-18-17-14(11-12-7-3-1-4-8-12)15(19)20-13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of phenyl 2-azido-3-phenylpropanoate?
phenyl 2-azido-3-phenylpropanoate has a molecular weight of 267.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-azido-3-phenylpropanoate is sourced from PubChem (CID 75291356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).