methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate

C21H30N2O3 — CID 97207747

IUPACmethyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C21H30N2O3/c1-16(2)14-23-15-21(13-18(23)24)9-11-22(12-10-21)19(20(25)26-3)17-7-5-4-6-8-17/h4-8,16,19H,9-15H2,1-3H3/t19-/m1/s1
InChIKeyRDPATUKJXAYCSH-LJQANCHMSA-N
MW358.48 g/mol
LogP2.87
Rot. Bonds5

About methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate

methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate (PubChem CID 97207747) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate
PubChem CID97207747
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namemethyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C21H30N2O3/c1-16(2)14-23-15-21(13-18(23)24)9-11-22(12-10-21)19(20(25)26-3)17-7-5-4-6-8-17/h4-8,16,19H,9-15H2,1-3H3/t19-/m1/s1
InChIKeyRDPATUKJXAYCSH-LJQANCHMSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate 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 methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate (CID 97207747) is methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)CC(=O)N(CC(C)C)C2.
What is the InChIKey of methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate?
The InChIKey is RDPATUKJXAYCSH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16(2)14-23-15-21(13-18(23)24)9-11-22(12-10-21)19(20(25)26-3)17-7-5-4-6-8-17/h4-8,16,19H,9-15H2,1-3H3/t19-/m1/s1.
What are the key properties of methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate?
methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate has a molecular weight of 358.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylacetate is sourced from PubChem (CID 97207747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).