1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid

C17H17NO2 — CID 59451803

IUPAC1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H17NO2/c19-17(20)16-11-18(12-16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,19,20)
InChIKeyIRROAXBYFBUMLG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid

1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid (PubChem CID 59451803) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
PubChem CID59451803
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H17NO2/c19-17(20)16-11-18(12-16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,19,20)
InChIKeyIRROAXBYFBUMLG-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(3-chlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 46872742
1-benzylazetidine;1-benzylazetidine-3-carboxylic acid
CID 161198562
1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451795
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
methane;1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-(2-phenylethyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 159528463
[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 138387325
1-[[4-[[4-(2-ethylphenyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid
CID 11247083
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
CID 67508584
1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930535
1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
CID 67081474

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid (CID 59451803) is 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid?
The InChIKey is IRROAXBYFBUMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)16-11-18(12-16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,19,20).
What are the key properties of 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid?
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).