1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid

C19H19NO3 — CID 59451795

IUPAC1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C19H19NO3/c21-18(10-14-4-2-1-3-5-14)16-8-6-15(7-9-16)11-20-12-17(13-20)19(22)23/h1-9,17H,10-13H2,(H,22,23)
InChIKeyWTTJXULVQHVDGO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.63
Rot. Bonds6

About 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 59451795) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID59451795
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C19H19NO3/c21-18(10-14-4-2-1-3-5-14)16-8-6-15(7-9-16)11-20-12-17(13-20)19(22)23/h1-9,17H,10-13H2,(H,22,23)
InChIKeyWTTJXULVQHVDGO-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-(2-phenylethyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 159528463
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-benzylazetidine;1-benzylazetidine-3-carboxylic acid
CID 161198562
1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
CID 67081474
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336
1-benzyl-4-(2,6-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 134162557
1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]azetidine-3-carboxylic acid
CID 122046896
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930535
1-[[4-(3-chlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 46872742
1-[(3,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65071689

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid (CID 59451795) is 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid is O=C(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is WTTJXULVQHVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(10-14-4-2-1-3-5-14)16-8-6-15(7-9-16)11-20-12-17(13-20)19(22)23/h1-9,17H,10-13H2,(H,22,23).
What are the key properties of 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).