[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea

C11H19N3O2 — CID 131915772

IUPAC[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C2)C1
InChIInChI=1S/C11H19N3O2/c12-11(16)13-5-10(15)14-6-8-2-1-3-9(4-8)7-14/h8-9H,1-7H2,(H3,12,13,16)/t8-,9-/m0/s1
InChIKeyVKHXFQFGCMDANF-IUCAKERBSA-N
MW225.29 g/mol
LogP0.30
Rot. Bonds2

About [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea

[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea (PubChem CID 131915772) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
PubChem CID131915772
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C2)C1
InChIInChI=1S/C11H19N3O2/c12-11(16)13-5-10(15)14-6-8-2-1-3-9(4-8)7-14/h8-9H,1-7H2,(H3,12,13,16)/t8-,9-/m0/s1
InChIKeyVKHXFQFGCMDANF-IUCAKERBSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(cyclopentylamino)ethanone
CID 114196416
[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea
CID 126989063
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
[2-[(1R,2S,6R,9R)-6-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-oxoethyl]urea
CID 166616362
4-(3-azabicyclo[3.3.1]nonane-3-carbonylamino)butanoic acid
CID 114196661
chloromethyl 3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 164660409
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
CID 130608897
[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
CID 96578533
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
CID 136578618
1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(3-chloro-4-hydroxyphenyl)ethanone
CID 171153310
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743

Frequently Asked Questions

What is the IUPAC name of [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea (CID 131915772) is [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C2)C1.
What is the InChIKey of [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea?
The InChIKey is VKHXFQFGCMDANF-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-11(16)13-5-10(15)14-6-8-2-1-3-9(4-8)7-14/h8-9H,1-7H2,(H3,12,13,16)/t8-,9-/m0/s1.
What are the key properties of [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea?
[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea has a molecular weight of 225.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea is sourced from PubChem (CID 131915772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).