(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one

C13H23NO3 — CID 99841406

IUPAC(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCOC[C@@]12CCOC2
InChIInChI=1S/C13H23NO3/c1-3-4-11(2)12(15)14-6-8-17-10-13(14)5-7-16-9-13/h11H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyQYQLOSLUXFVAOM-YPMHNXCESA-N
MW241.33 g/mol
LogP1.44
Rot. Bonds3

About (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one

(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one (PubChem CID 99841406) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
PubChem CID99841406
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCOC[C@@]12CCOC2
InChIInChI=1S/C13H23NO3/c1-3-4-11(2)12(15)14-6-8-17-10-13(14)5-7-16-9-13/h11H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyQYQLOSLUXFVAOM-YPMHNXCESA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 61428247
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one
CID 124627376
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 129349121
N-ethyl-N,3,3-trimethylmorpholine-4-carboxamide
CID 116654558
6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane
CID 126784432
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
CID 107159961

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one?
The IUPAC name of (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one (CID 99841406) is (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one.
What is the SMILES notation for (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one?
The canonical SMILES for (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one is CCC[C@@H](C)C(=O)N1CCOC[C@@]12CCOC2.
What is the InChIKey of (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one?
The InChIKey is QYQLOSLUXFVAOM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-4-11(2)12(15)14-6-8-17-10-13(14)5-7-16-9-13/h11H,3-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one?
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one is sourced from PubChem (CID 99841406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).