8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one

C12H21N3O3 — CID 69486464

IUPAC8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCNC12CCN([C@H]1COCC[C@@H]1O)CC2
InChIInChI=1S/C12H21N3O3/c16-10-1-6-18-7-9(10)15-4-2-12(3-5-15)11(17)13-8-14-12/h9-10,14,16H,1-8H2,(H,13,17)/t9-,10-/m0/s1
InChIKeyPUJKSPLEVHWLAP-UWVGGRQHSA-N
MW255.32 g/mol
LogP-1.35
Rot. Bonds1

About 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one

8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 69486464) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID69486464
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCNC12CCN([C@H]1COCC[C@@H]1O)CC2
InChIInChI=1S/C12H21N3O3/c16-10-1-6-18-7-9(10)15-4-2-12(3-5-15)11(17)13-8-14-12/h9-10,14,16H,1-8H2,(H,13,17)/t9-,10-/m0/s1
InChIKeyPUJKSPLEVHWLAP-UWVGGRQHSA-N
XLogP-1.35
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one 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 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 69486464) is 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCNC12CCN([C@H]1COCC[C@@H]1O)CC2.
What is the InChIKey of 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is PUJKSPLEVHWLAP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-10-1-6-18-7-9(10)15-4-2-12(3-5-15)11(17)13-8-14-12/h9-10,14,16H,1-8H2,(H,13,17)/t9-,10-/m0/s1.
What are the key properties of 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 255.32 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S,4S)-4-hydroxyoxan-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 69486464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).