2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid

C15H25N3O3 — CID 144695431

IUPAC2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid
SMILESCC(C)(C)C.O=C(O)N[C@@H]1CC[C@@H](n2ncccc2=O)C1
InChIInChI=1S/C10H13N3O3.C5H12/c14-9-2-1-5-11-13(9)8-4-3-7(6-8)12-10(15)16;1-5(2,3)4/h1-2,5,7-8,12H,3-4,6H2,(H,15,16);1-4H3/t7-,8-;/m1./s1
InChIKeyUEUZVJPMNYSWAG-SCLLHFNJSA-N
MW295.38 g/mol
LogP2.66
Rot. Bonds2

About 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid

2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid (PubChem CID 144695431) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid
PubChem CID144695431
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid
SMILESCC(C)(C)C.O=C(O)N[C@@H]1CC[C@@H](n2ncccc2=O)C1
InChIInChI=1S/C10H13N3O3.C5H12/c14-9-2-1-5-11-13(9)8-4-3-7(6-8)12-10(15)16;1-5(2,3)4/h1-2,5,7-8,12H,3-4,6H2,(H,15,16);1-4H3/t7-,8-;/m1./s1
InChIKeyUEUZVJPMNYSWAG-SCLLHFNJSA-N
XLogP2.66
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid?
The IUPAC name of 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid (CID 144695431) is 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid.
What is the SMILES notation for 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid?
The canonical SMILES for 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid is CC(C)(C)C.O=C(O)N[C@@H]1CC[C@@H](n2ncccc2=O)C1.
What is the InChIKey of 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid?
The InChIKey is UEUZVJPMNYSWAG-SCLLHFNJSA-N. The full InChI is InChI=1S/C10H13N3O3.C5H12/c14-9-2-1-5-11-13(9)8-4-3-7(6-8)12-10(15)16;1-5(2,3)4/h1-2,5,7-8,12H,3-4,6H2,(H,15,16);1-4H3/t7-,8-;/m1./s1.
What are the key properties of 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid?
2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid has a molecular weight of 295.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid is sourced from PubChem (CID 144695431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).