cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane

C5H9N3 — CID 134983841

IUPACcis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane
SMILES[2H][C@@H]1[C@H](N=[N+]=[N-])C1(C)C
InChIInChI=1S/C5H9N3/c1-5(2)3-4(5)7-8-6/h4H,3H2,1-2H3/t4-/m0/s1/i3D/t3-,4+/m1
InChIKeyWWVNZRKXICYPTR-ITEPJMEFSA-N
MW112.15 g/mol
LogP2.10
Rot. Bonds1

About cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane

cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane (PubChem CID 134983841) has the molecular formula C5H9N3 and a molecular weight of 112.15 g/mol. Its IUPAC name is cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane.

Molecular Properties

Compound Namecis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane
PubChem CID134983841
Molecular FormulaC5H9N3
Molecular Weight112.15 g/mol
Exact Mass112.09
IUPAC Namecis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane
SMILES[2H][C@@H]1[C@H](N=[N+]=[N-])C1(C)C
InChIInChI=1S/C5H9N3/c1-5(2)3-4(5)7-8-6/h4H,3H2,1-2H3/t4-/m0/s1/i3D/t3-,4+/m1
InChIKeyWWVNZRKXICYPTR-ITEPJMEFSA-N
XLogP2.10
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane 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

(4S,9S)-4,9-diazidospiro[4.4]nonane
CID 58321015
4,9-diazidospiro[4.4]nonane
CID 58321035
(3R)-3-azido-4,4-dimethyloxolan-2-one
CID 46737241
(3S)-3-azido-1,1-dimethylcyclopentane
CID 54353995
(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane
CID 102045796
2-azido-5,5-dimethylcyclohexane-1,3-dione
CID 132544840
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
1-azido-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 85106774
cis-(1R,3S)-2-azidocyclopentane-1,3-diol
CID 130822614
(2S,3aS,5S,6aS)-2,5-diazido-1-deuterio-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 175710556
4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine
CID 174763453
[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury
CID 134883264

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane?
The IUPAC name of cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane (CID 134983841) is cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane.
What is the SMILES notation for cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane?
The canonical SMILES for cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane is [2H][C@@H]1[C@H](N=[N+]=[N-])C1(C)C.
What is the InChIKey of cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane?
The InChIKey is WWVNZRKXICYPTR-ITEPJMEFSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(2)3-4(5)7-8-6/h4H,3H2,1-2H3/t4-/m0/s1/i3D/t3-,4+/m1.
What are the key properties of cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane?
cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane has a molecular weight of 112.15 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane is sourced from PubChem (CID 134983841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).