2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C9H9O5- — CID 140785075

IUPAC2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C([O-])C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C9H10O5/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7,10H,1H2,(H,11,12)/p-1
InChIKeyRLIGTMKVDUTAGG-UHFFFAOYSA-M
MW197.17 g/mol
LogP-2.10
Rot. Bonds1

About 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 140785075) has the molecular formula C9H9O5- and a molecular weight of 197.17 g/mol. Its IUPAC name is 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Name2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID140785075
Molecular FormulaC9H9O5-
Molecular Weight197.17 g/mol
Exact Mass197.05
IUPAC Name2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C([O-])C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C9H10O5/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7,10H,1H2,(H,11,12)/p-1
InChIKeyRLIGTMKVDUTAGG-UHFFFAOYSA-M
XLogP-2.10
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-2.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate 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

cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 59602241
2-(2-iodoacetyl)oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 154609616
(2,4,6-triiodophenyl) 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 164765874
(1-ethylcyclopentyl) 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 59170530
(1S,2S,3S,6R,7R,9S)-2-hydroxy-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide;propan-2-ol
CID 139191284
(4-bromo-3,3,4,4-tetrafluorobutyl) 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 59623058
(1R,2S,3R,6S,7R,9S)-2-bromo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
CID 98042923
(1R,2R,3S,6R,7R,9S)-2-bromo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
CID 124540963
9-butyl-2-hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 58887285
1,1,2-trifluoro-4-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybutane-1-sulfonic acid
CID 164728352
[(1S,2S,3S,6R,7R,9R)-9-carboxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]-chloromercury
CID 23270324
(6-hydroxy-5-iodonaphthalen-2-yl)methyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 176641585

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 140785075) is 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is O=C([O-])C1C2CC3C(OC(=O)C31)C2O.
What is the InChIKey of 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is RLIGTMKVDUTAGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O5/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7,10H,1H2,(H,11,12)/p-1.
What are the key properties of 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 197.17 g/mol, XLogP of -2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 140785075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).