3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid

C19H19N3O3 — CID 71240503

IUPAC3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid
SMILES[N-]=[N+]=NCCC(C(=O)C(=O)O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c20-22-21-12-11-16(18(23)19(24)25)17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,24,25)
InChIKeyOWELVHFGZGULAF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.98
Rot. Bonds9

About 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid

3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid (PubChem CID 71240503) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid.

Molecular Properties

Compound Name3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid
PubChem CID71240503
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid
SMILES[N-]=[N+]=NCCC(C(=O)C(=O)O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c20-22-21-12-11-16(18(23)19(24)25)17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,24,25)
InChIKeyOWELVHFGZGULAF-UHFFFAOYSA-N
XLogP3.98
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-4-azido-2-benzylbutanoic acid
CID 142639900
(2S)-1-azido-3-phenylpropan-2-ol
CID 101111843
[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707
(4-azido-1-phenylbutyl) carbamate
CID 121415286
N-[1-[[(2S)-1-azido-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 45378330
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227
1-azido-3-phenylpropan-2-one
CID 14872260
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
3-chloro-2-oxo-4-phenylbutanoic acid
CID 165024954
benzyl 4-(2-azidoethyl)benzoate
CID 19926180
(2-azido-1-bromoethyl)benzene
CID 24972616
diethyl 2-(1,2-diphenylethyl)propanedioate
CID 14047005

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid?
The IUPAC name of 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid (CID 71240503) is 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid.
What is the SMILES notation for 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid?
The canonical SMILES for 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid is [N-]=[N+]=NCCC(C(=O)C(=O)O)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid?
The InChIKey is OWELVHFGZGULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-22-21-12-11-16(18(23)19(24)25)17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,24,25).
What are the key properties of 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid?
3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)-2-oxo-4,5-diphenylpentanoic acid is sourced from PubChem (CID 71240503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).