(1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione

C14H20N2O4 — CID 146619190

IUPAC(1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione
SMILESCc1c2n(c(=O)[nH]c1=O)[C@H]1C[C@@H](C(C)(C)C)C(O1)[C@@H]2O
InChIInChI=1S/C14H20N2O4/c1-6-9-10(17)11-7(14(2,3)4)5-8(20-11)16(9)13(19)15-12(6)18/h7-8,10-11,17H,5H2,1-4H3,(H,15,18,19)/t7-,8-,10-,11?/m1/s1
InChIKeyOANDMUAERZQZIL-SDZBQPJDSA-N
MW280.32 g/mol
LogP0.84
Rot. Bonds

About (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione

(1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione (PubChem CID 146619190) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione.

Molecular Properties

Compound Name(1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione
PubChem CID146619190
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione
SMILESCc1c2n(c(=O)[nH]c1=O)[C@H]1C[C@@H](C(C)(C)C)C(O1)[C@@H]2O
InChIInChI=1S/C14H20N2O4/c1-6-9-10(17)11-7(14(2,3)4)5-8(20-11)16(9)13(19)15-12(6)18/h7-8,10-11,17H,5H2,1-4H3,(H,15,18,19)/t7-,8-,10-,11?/m1/s1
InChIKeyOANDMUAERZQZIL-SDZBQPJDSA-N
XLogP0.84
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-5-methylpyrimidine-2,4-dione
CID 139505571
3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 170680146
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 167063056
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599995
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
[(E)-2-[(2S,5R)-3-tert-butyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-1-enyl]-hydroxyphosphinate
CID 153493659
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 131865431
1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 138455897
1-[(3R,3aR,5S,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10869335
1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 10825887
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 71313544

Frequently Asked Questions

What is the IUPAC name of (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione?
The IUPAC name of (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione (CID 146619190) is (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione.
What is the SMILES notation for (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione?
The canonical SMILES for (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione is Cc1c2n(c(=O)[nH]c1=O)[C@H]1C[C@@H](C(C)(C)C)C(O1)[C@@H]2O.
What is the InChIKey of (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione?
The InChIKey is OANDMUAERZQZIL-SDZBQPJDSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-6-9-10(17)11-7(14(2,3)4)5-8(20-11)16(9)13(19)15-12(6)18/h7-8,10-11,17H,5H2,1-4H3,(H,15,18,19)/t7-,8-,10-,11?/m1/s1.
What are the key properties of (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione?
(1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione has a molecular weight of 280.32 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,10S)-10-tert-butyl-8-hydroxy-6-methyl-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione is sourced from PubChem (CID 146619190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).