(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one

C10H15NO5 — CID 11458847

IUPAC(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
SMILESCN1C(=O)O[C@@H]2CO[C@@H]3C[C@@H](CO)O[C@@H]3[C@@H]21
InChIInChI=1S/C10H15NO5/c1-11-8-7(16-10(11)13)4-14-6-2-5(3-12)15-9(6)8/h5-9,12H,2-4H2,1H3/t5-,6+,7+,8+,9-/m0/s1
InChIKeyXMVQKYUXKNDGPS-CBHQDSPSSA-N
MW229.23 g/mol
LogP-0.65
Rot. Bonds1

About (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one

(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one (PubChem CID 11458847) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one.

Molecular Properties

Compound Name(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
PubChem CID11458847
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
SMILESCN1C(=O)O[C@@H]2CO[C@@H]3C[C@@H](CO)O[C@@H]3[C@@H]21
InChIInChI=1S/C10H15NO5/c1-11-8-7(16-10(11)13)4-14-6-2-5(3-12)15-9(6)8/h5-9,12H,2-4H2,1H3/t5-,6+,7+,8+,9-/m0/s1
InChIKeyXMVQKYUXKNDGPS-CBHQDSPSSA-N
XLogP-0.65
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-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 (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
The IUPAC name of (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one (CID 11458847) is (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one.
What is the SMILES notation for (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
The canonical SMILES for (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one is CN1C(=O)O[C@@H]2CO[C@@H]3C[C@@H](CO)O[C@@H]3[C@@H]21.
What is the InChIKey of (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
The InChIKey is XMVQKYUXKNDGPS-CBHQDSPSSA-N. The full InChI is InChI=1S/C10H15NO5/c1-11-8-7(16-10(11)13)4-14-6-2-5(3-12)15-9(6)8/h5-9,12H,2-4H2,1H3/t5-,6+,7+,8+,9-/m0/s1.
What are the key properties of (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one has a molecular weight of 229.23 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one is sourced from PubChem (CID 11458847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).