(5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

C15H23N3O3 — CID 142046341

IUPAC(5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESCN[C@H]1CC2C(=O)N3C[C@@](C)(CC(C)=O)CC3C(=O)N2C1
InChIInChI=1S/C15H23N3O3/c1-9(19)5-15(2)6-12-14(21)17-7-10(16-3)4-11(17)13(20)18(12)8-15/h10-12,16H,4-8H2,1-3H3/t10-,11?,12?,15-/m0/s1
InChIKeyGJMYBBIZIQYSRZ-QZLRTXKQSA-N
MW293.37 g/mol
LogP-0.22
Rot. Bonds3

About (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

(5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (PubChem CID 142046341) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.

Molecular Properties

Compound Name(5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID142046341
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESCN[C@H]1CC2C(=O)N3C[C@@](C)(CC(C)=O)CC3C(=O)N2C1
InChIInChI=1S/C15H23N3O3/c1-9(19)5-15(2)6-12-14(21)17-7-10(16-3)4-11(17)13(20)18(12)8-15/h10-12,16H,4-8H2,1-3H3/t10-,11?,12?,15-/m0/s1
InChIKeyGJMYBBIZIQYSRZ-QZLRTXKQSA-N
XLogP-0.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The IUPAC name of (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (CID 142046341) is (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.
What is the SMILES notation for (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The canonical SMILES for (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is CN[C@H]1CC2C(=O)N3C[C@@](C)(CC(C)=O)CC3C(=O)N2C1.
What is the InChIKey of (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The InChIKey is GJMYBBIZIQYSRZ-QZLRTXKQSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(19)5-15(2)6-12-14(21)17-7-10(16-3)4-11(17)13(20)18(12)8-15/h10-12,16H,4-8H2,1-3H3/t10-,11?,12?,15-/m0/s1.
What are the key properties of (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
(5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has a molecular weight of 293.37 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,11S)-5-methyl-11-(methylamino)-5-(2-oxopropyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is sourced from PubChem (CID 142046341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).