1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea

C8H15N3O2 — CID 130961494

IUPAC1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea
SMILESNNC(=O)NC1CCC2CCC1O2
InChIInChI=1S/C8H15N3O2/c9-11-8(12)10-6-3-1-5-2-4-7(6)13-5/h5-7H,1-4,9H2,(H2,10,11,12)
InChIKeyZIQXUKLXIWYPIN-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.13
Rot. Bonds1

About 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea

1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea (PubChem CID 130961494) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea.

Molecular Properties

Compound Name1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea
PubChem CID130961494
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea
SMILESNNC(=O)NC1CCC2CCC1O2
InChIInChI=1S/C8H15N3O2/c9-11-8(12)10-6-3-1-5-2-4-7(6)13-5/h5-7H,1-4,9H2,(H2,10,11,12)
InChIKeyZIQXUKLXIWYPIN-UHFFFAOYSA-N
XLogP-0.13
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(8-oxabicyclo[3.2.1]octan-2-yl)prop-2-ynamide
CID 130802888
1-amino-3-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]urea
CID 131123362
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 80720753
1-amino-3-(2-methylcyclopropyl)urea
CID 62408837
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide
CID 80719423
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
CID 113280887
(2R)-4-amino-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107828479
3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 80720615
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea?
The IUPAC name of 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea (CID 130961494) is 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea.
What is the SMILES notation for 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea?
The canonical SMILES for 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea is NNC(=O)NC1CCC2CCC1O2.
What is the InChIKey of 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea?
The InChIKey is ZIQXUKLXIWYPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-11-8(12)10-6-3-1-5-2-4-7(6)13-5/h5-7H,1-4,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea?
1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea has a molecular weight of 185.23 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(8-oxabicyclo[3.2.1]octan-2-yl)urea is sourced from PubChem (CID 130961494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).