tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C20H30N4O4 — CID 123344093

IUPACtert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1ccnnc1OCC(C)(C)NC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C20H30N4O4/c1-12-7-8-21-23-17(12)27-11-20(5,6)22-16(25)15-13-9-24(10-14(13)15)18(26)28-19(2,3)4/h7-8,13-15H,9-11H2,1-6H3,(H,22,25)
InChIKeyUGVBBAKFPNDHTA-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 123344093) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID123344093
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nametert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1ccnnc1OCC(C)(C)NC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C20H30N4O4/c1-12-7-8-21-23-17(12)27-11-20(5,6)22-16(25)15-13-9-24(10-14(13)15)18(26)28-19(2,3)4/h7-8,13-15H,9-11H2,1-6H3,(H,22,25)
InChIKeyUGVBBAKFPNDHTA-UHFFFAOYSA-N
XLogP2.17
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123208495
tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123680836
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
tert-butyl 6-[2-(2,7-dimethylindazol-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123287825
tert-butyl 6-[(6-methyl-3-pyridinyl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238468
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122
tert-butyl 6-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123719543
tert-butyl (1S,5R)-6-(2-quinazolin-5-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134392756
tert-butyl (5S)-6-[2-(1,2-benzoxazol-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134398383
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 6-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123406803
(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 123344093) is tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1ccnnc1OCC(C)(C)NC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21.
What is the InChIKey of tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is UGVBBAKFPNDHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-12-7-8-21-23-17(12)27-11-20(5,6)22-16(25)15-13-9-24(10-14(13)15)18(26)28-19(2,3)4/h7-8,13-15H,9-11H2,1-6H3,(H,22,25).
What are the key properties of tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 123344093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).