(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid

C15H18N2O3 — CID 141350023

IUPAC(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)N1CCC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1
InChIInChI=1S/C15H18N2O3/c18-13-15(7-4-8-17(10-15)14(19)20)12(9-16-13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,19,20)/t12-,15-/m0/s1
InChIKeyXXIWIBUNXCQVAT-WFASDCNBSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds1

About (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid

(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid (PubChem CID 141350023) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
PubChem CID141350023
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)N1CCC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1
InChIInChI=1S/C15H18N2O3/c18-13-15(7-4-8-17(10-15)14(19)20)12(9-16-13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,19,20)/t12-,15-/m0/s1
InChIKeyXXIWIBUNXCQVAT-WFASDCNBSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-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 (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid (CID 141350023) is (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid is O=C(O)N1CCC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1.
What is the InChIKey of (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is XXIWIBUNXCQVAT-WFASDCNBSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-15(7-4-8-17(10-15)14(19)20)12(9-16-13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,19,20)/t12-,15-/m0/s1.
What are the key properties of (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 141350023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).