(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione

C9H13N3O3 — CID 134363334

IUPAC(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
SMILESCN1C[C@@H]2C[C@@H]3CN(C(=O)N3O)[C@@H]2C1=O
InChIInChI=1S/C9H13N3O3/c1-10-3-5-2-6-4-11(7(5)8(10)13)9(14)12(6)15/h5-7,15H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyPSYFLUFNRXXGQV-XVMARJQXSA-N
MW211.22 g/mol
LogP-0.66
Rot. Bonds

About (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione

(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione (PubChem CID 134363334) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione.

Molecular Properties

Compound Name(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
PubChem CID134363334
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
SMILESCN1C[C@@H]2C[C@@H]3CN(C(=O)N3O)[C@@H]2C1=O
InChIInChI=1S/C9H13N3O3/c1-10-3-5-2-6-4-11(7(5)8(10)13)9(14)12(6)15/h5-7,15H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyPSYFLUFNRXXGQV-XVMARJQXSA-N
XLogP-0.66
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione 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

9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
CID 155072759
4-cyclopropyl-9-hydroxy-3-oxo-3λ4-thia-1,4,9-triazatricyclo[6.2.1.02,6]undecan-10-one
CID 166804687
(2S,6S,8R)-9-hydroxysulfanyloxy-4-propyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
CID 134383495
(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346758
2-(6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl)acetaldehyde
CID 123677312
3-amino-1-methylazetidin-2-one
CID 70338843
tert-butyl N-[[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 122525492
tert-butyl N-[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 118016875
(3S)-3-amino-1-methylazetidin-2-one;hydron
CID 131858386
(5R)-2,5-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 139498091
(3aR,6aS)-5-methyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
CID 118214307
(2S)-6-hydroxy-N',N'-dimethyl-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 90228644

Frequently Asked Questions

What is the IUPAC name of (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?
The IUPAC name of (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione (CID 134363334) is (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione.
What is the SMILES notation for (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?
The canonical SMILES for (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione is CN1C[C@@H]2C[C@@H]3CN(C(=O)N3O)[C@@H]2C1=O.
What is the InChIKey of (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?
The InChIKey is PSYFLUFNRXXGQV-XVMARJQXSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-10-3-5-2-6-4-11(7(5)8(10)13)9(14)12(6)15/h5-7,15H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?
(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione has a molecular weight of 211.22 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione is sourced from PubChem (CID 134363334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).