(1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide

C9H12N2O3 — CID 98511096

IUPAC(1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESNC(=O)[C@@H]1[C@H]2C[C@H]3[C@@H](NC(=O)[C@@H]31)[C@H]2O
InChIInChI=1S/C9H12N2O3/c10-8(13)4-3-1-2-5(4)9(14)11-6(2)7(3)12/h2-7,12H,1H2,(H2,10,13)(H,11,14)/t2-,3-,4-,5+,6-,7+/m1/s1
InChIKeyJTKFSGSSUANNRH-VXGWJHEQSA-N
MW196.21 g/mol
LogP-1.79
Rot. Bonds1

About (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide

(1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 98511096) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide
PubChem CID98511096
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESNC(=O)[C@@H]1[C@H]2C[C@H]3[C@@H](NC(=O)[C@@H]31)[C@H]2O
InChIInChI=1S/C9H12N2O3/c10-8(13)4-3-1-2-5(4)9(14)11-6(2)7(3)12/h2-7,12H,1H2,(H2,10,13)(H,11,14)/t2-,3-,4-,5+,6-,7+/m1/s1
InChIKeyJTKFSGSSUANNRH-VXGWJHEQSA-N
XLogP-1.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide with MolForge

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Related Compounds

bicyclo[6.1.0]nonane-9-carboxamide
CID 10012283
2-hydroxy-6-oxopiperidine-4-carboxamide
CID 73186454
9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50877538
4-oxo-1,3-thiazolidine-2-carboxamide
CID 87540653
4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
CID 171036181
4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 142165560
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 158984480
2-hydroxybicyclo[3.1.0]hexane-6-carboxamide
CID 150840579
methyl (1S,3R,6S,7R,9S)-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 98066460
5-acetyl-8,10-dioxo-9-azabicyclo[5.3.1]undecane-3-carboxamide
CID 130433020
(1R,2R,5S,6S)-3-azatricyclo[4.2.1.02,5]non-7-en-4-one;(1R,6S)-3-azatricyclo[4.2.1.02,5]non-7-en-4-one
CID 161392599

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The IUPAC name of (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 98511096) is (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide.
What is the SMILES notation for (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The canonical SMILES for (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide is NC(=O)[C@@H]1[C@H]2C[C@H]3[C@@H](NC(=O)[C@@H]31)[C@H]2O.
What is the InChIKey of (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The InChIKey is JTKFSGSSUANNRH-VXGWJHEQSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-8(13)4-3-1-2-5(4)9(14)11-6(2)7(3)12/h2-7,12H,1H2,(H2,10,13)(H,11,14)/t2-,3-,4-,5+,6-,7+/m1/s1.
What are the key properties of (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide?
(1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,6S,7R,9R)-2-hydroxy-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 98511096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).