6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid

C15H21N3O5 — CID 137345511

IUPAC6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
SMILESC[C@@]1(O)CCOC2(CCN(c3cncc(C(=O)O)n3)CC2)[C@H]1O
InChIInChI=1S/C15H21N3O5/c1-14(22)4-7-23-15(13(14)21)2-5-18(6-3-15)11-9-16-8-10(17-11)12(19)20/h8-9,13,21-22H,2-7H2,1H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyAQROIPCODILYNX-UONOGXRCSA-N
MW323.35 g/mol
LogP0.05
Rot. Bonds2

About 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid

6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid (PubChem CID 137345511) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
PubChem CID137345511
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
SMILESC[C@@]1(O)CCOC2(CCN(c3cncc(C(=O)O)n3)CC2)[C@H]1O
InChIInChI=1S/C15H21N3O5/c1-14(22)4-7-23-15(13(14)21)2-5-18(6-3-15)11-9-16-8-10(17-11)12(19)20/h8-9,13,21-22H,2-7H2,1H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyAQROIPCODILYNX-UONOGXRCSA-N
XLogP0.05
TPSA116.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
(5-chloro-3-pyridinyl)-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 135119872
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 164691394
(4R,5S)-4-methyl-9-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 135111880
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 135100932
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyquinolin-2-yl)methanone
CID 135102707
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 164695336
2,3-dihydro-1,4-benzodioxin-6-yl-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 166624334
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642

Frequently Asked Questions

What is the IUPAC name of 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid (CID 137345511) is 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid is C[C@@]1(O)CCOC2(CCN(c3cncc(C(=O)O)n3)CC2)[C@H]1O.
What is the InChIKey of 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid?
The InChIKey is AQROIPCODILYNX-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-14(22)4-7-23-15(13(14)21)2-5-18(6-3-15)11-9-16-8-10(17-11)12(19)20/h8-9,13,21-22H,2-7H2,1H3,(H,19,20)/t13-,14+/m0/s1.
What are the key properties of 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid?
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137345511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).