[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone

C13H22N4O2 — CID 170055207

IUPAC[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCNN1CC2COCC1CN2C(=O)[C@@H]1N[C@@H]1C1CC1
InChIInChI=1S/C13H22N4O2/c1-14-17-5-9-6-19-7-10(17)4-16(9)13(18)12-11(15-12)8-2-3-8/h8-12,14-15H,2-7H2,1H3/t9?,10?,11-,12-/m1/s1
InChIKeyHUYXSPMKYHIWPI-KIDURHIOSA-N
MW266.34 g/mol
LogP-1.22
Rot. Bonds3

About [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone

[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 170055207) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID170055207
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCNN1CC2COCC1CN2C(=O)[C@@H]1N[C@@H]1C1CC1
InChIInChI=1S/C13H22N4O2/c1-14-17-5-9-6-19-7-10(17)4-16(9)13(18)12-11(15-12)8-2-3-8/h8-12,14-15H,2-7H2,1H3/t9?,10?,11-,12-/m1/s1
InChIKeyHUYXSPMKYHIWPI-KIDURHIOSA-N
XLogP-1.22
TPSA66.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S)-3-cyclopropylaziridin-2-yl]-[(1S,4S)-5-propan-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 170054914
[(2R,3S)-3-cyclopropylaziridin-2-yl]-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 170055113
1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 170982794
[(2S,3S)-3-cyclopropylaziridin-2-yl]-[(1S,5R)-3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 170054932
[(2R,3S)-3-cyclopropylaziridin-2-yl]-(5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl)methanone
CID 170055523
[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176610704
N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine
CID 174341959
(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide
CID 170054921
azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 164661076
1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
CID 155687564
(1S,5S)-N-(4-fluorophenyl)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carboxamide
CID 155916622
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 170055207) is [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone is CNN1CC2COCC1CN2C(=O)[C@@H]1N[C@@H]1C1CC1.
What is the InChIKey of [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is HUYXSPMKYHIWPI-KIDURHIOSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-17-5-9-6-19-7-10(17)4-16(9)13(18)12-11(15-12)8-2-3-8/h8-12,14-15H,2-7H2,1H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone?
[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 170055207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).