(1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid

C19H17NO5 — CID 25263498

IUPAC(1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1O2
InChIInChI=1S/C19H17NO5/c21-18-16-17(19(22)23)25-15(24-16)11-20(18)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17H,10-11H2,(H,22,23)/t15-,16+,17+/m0/s1
InChIKeyZHSFIDWXKSAMPY-GVDBMIGSSA-N
MW339.35 g/mol
LogP1.89
Rot. Bonds4

About (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid

(1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid (PubChem CID 25263498) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
PubChem CID25263498
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1O2
InChIInChI=1S/C19H17NO5/c21-18-16-17(19(22)23)25-15(24-16)11-20(18)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17H,10-11H2,(H,22,23)/t15-,16+,17+/m0/s1
InChIKeyZHSFIDWXKSAMPY-GVDBMIGSSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid?
The IUPAC name of (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid (CID 25263498) is (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid.
What is the SMILES notation for (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid?
The canonical SMILES for (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid is O=C(O)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1O2.
What is the InChIKey of (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid?
The InChIKey is ZHSFIDWXKSAMPY-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H17NO5/c21-18-16-17(19(22)23)25-15(24-16)11-20(18)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17H,10-11H2,(H,22,23)/t15-,16+,17+/m0/s1.
What are the key properties of (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid?
(1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid is sourced from PubChem (CID 25263498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).