(6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol

C10H15NO3 — CID 118197658

IUPAC(6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOCC#CC1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H15NO3/c12-5-1-2-7-9(14)8(13)6-11-10(7)3-4-10/h7-9,11-14H,3-6H2/t7?,8-,9-/m1/s1
InChIKeyJGTGAWSDCHTBRU-CFCGPWAMSA-N
MW197.23 g/mol
LogP-1.54
Rot. Bonds

About (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197658) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197658
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOCC#CC1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H15NO3/c12-5-1-2-7-9(14)8(13)6-11-10(7)3-4-10/h7-9,11-14H,3-6H2/t7?,8-,9-/m1/s1
InChIKeyJGTGAWSDCHTBRU-CFCGPWAMSA-N
XLogP-1.54
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol 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 (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118197658) is (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol is OCC#CC1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is JGTGAWSDCHTBRU-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H15NO3/c12-5-1-2-7-9(14)8(13)6-11-10(7)3-4-10/h7-9,11-14H,3-6H2/t7?,8-,9-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 197.23 g/mol, XLogP of -1.54, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(3-hydroxyprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).