3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid

C23H25N3O5 — CID 66652228

IUPAC3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESCOC(=O)C(c1ccccc1)N1CN(c2ccccc2)C2(CCN(C(=O)O)CC2)C1=O
InChIInChI=1S/C23H25N3O5/c1-31-20(27)19(17-8-4-2-5-9-17)25-16-26(18-10-6-3-7-11-18)23(21(25)28)12-14-24(15-13-23)22(29)30/h2-11,19H,12-16H2,1H3,(H,29,30)
InChIKeyODTZLRYLBJLILR-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.72
Rot. Bonds4

About 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid

3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 66652228) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid
PubChem CID66652228
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESCOC(=O)C(c1ccccc1)N1CN(c2ccccc2)C2(CCN(C(=O)O)CC2)C1=O
InChIInChI=1S/C23H25N3O5/c1-31-20(27)19(17-8-4-2-5-9-17)25-16-26(18-10-6-3-7-11-18)23(21(25)28)12-14-24(15-13-23)22(29)30/h2-11,19H,12-16H2,1H3,(H,29,30)
InChIKeyODTZLRYLBJLILR-UHFFFAOYSA-N
XLogP2.72
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-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 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid (CID 66652228) is 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid is COC(=O)C(c1ccccc1)N1CN(c2ccccc2)C2(CCN(C(=O)O)CC2)C1=O.
What is the InChIKey of 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is ODTZLRYLBJLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-31-20(27)19(17-8-4-2-5-9-17)25-16-26(18-10-6-3-7-11-18)23(21(25)28)12-14-24(15-13-23)22(29)30/h2-11,19H,12-16H2,1H3,(H,29,30).
What are the key properties of 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid?
3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-oxo-1-phenylethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 66652228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).