(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one

C9H13NO3 — CID 11074053

IUPAC(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
SMILESO=C1O[C@H]2CCN3CC[C@@H](O)[C@@H]1[C@@H]23
InChIInChI=1S/C9H13NO3/c11-5-1-3-10-4-2-6-8(10)7(5)9(12)13-6/h5-8,11H,1-4H2/t5-,6+,7-,8-/m1/s1
InChIKeyRRBGHCKTYLUHOB-ULAWRXDQSA-N
MW183.21 g/mol
LogP-0.63
Rot. Bonds

About (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one

(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one (PubChem CID 11074053) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one.

Molecular Properties

Compound Name(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
PubChem CID11074053
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
SMILESO=C1O[C@H]2CCN3CC[C@@H](O)[C@@H]1[C@@H]23
InChIInChI=1S/C9H13NO3/c11-5-1-3-10-4-2-6-8(10)7(5)9(12)13-6/h5-8,11H,1-4H2/t5-,6+,7-,8-/m1/s1
InChIKeyRRBGHCKTYLUHOB-ULAWRXDQSA-N
XLogP-0.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one with MolForge

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Related Compounds

(4R,7R,8S,11R)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 11412762
methyl (1S,7S,8R,8aR)-7-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
CID 10890981
Methyl 7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
CID 85320895
methyl (7R,8R,8aR)-7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
CID 10932451
(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 10975859
(4S,7S,8S,9R,11S)-8,9-dihydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 101394619
8,9-Dihydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 130148179

Frequently Asked Questions

What is the IUPAC name of (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
The IUPAC name of (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one (CID 11074053) is (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one.
What is the SMILES notation for (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
The canonical SMILES for (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one is O=C1O[C@H]2CCN3CC[C@@H](O)[C@@H]1[C@@H]23.
What is the InChIKey of (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
The InChIKey is RRBGHCKTYLUHOB-ULAWRXDQSA-N. The full InChI is InChI=1S/C9H13NO3/c11-5-1-3-10-4-2-6-8(10)7(5)9(12)13-6/h5-8,11H,1-4H2/t5-,6+,7-,8-/m1/s1.
What are the key properties of (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one is sourced from PubChem (CID 11074053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).