(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine

C6H12N4O2 — CID 118673118

IUPAC(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine
SMILESCOC[C@H]1O[C@@H](N)CC1N=[N+]=[N-]
InChIInChI=1S/C6H12N4O2/c1-11-3-5-4(9-10-8)2-6(7)12-5/h4-6H,2-3,7H2,1H3/t4?,5-,6-/m1/s1
InChIKeySZGSXQNHNCJDGB-YSLANXFLSA-N
MW172.19 g/mol
LogP0.39
Rot. Bonds3

About (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine

(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine (PubChem CID 118673118) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine.

Molecular Properties

Compound Name(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine
PubChem CID118673118
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine
SMILESCOC[C@H]1O[C@@H](N)CC1N=[N+]=[N-]
InChIInChI=1S/C6H12N4O2/c1-11-3-5-4(9-10-8)2-6(7)12-5/h4-6H,2-3,7H2,1H3/t4?,5-,6-/m1/s1
InChIKeySZGSXQNHNCJDGB-YSLANXFLSA-N
XLogP0.39
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

[(2S,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 140536388
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174033395
(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane
CID 23251731
3-azido-5-(methoxymethyl)piperidine
CID 146529272
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
CID 151447306
bis[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hexanedioate
CID 175047875
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-carbamoylphosphinic acid
CID 11703486
[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 22263506
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 11234580
[[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]-dihydroxymethyl]phosphonic acid
CID 59854292

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine?
The IUPAC name of (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine (CID 118673118) is (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine.
What is the SMILES notation for (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine?
The canonical SMILES for (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine is COC[C@H]1O[C@@H](N)CC1N=[N+]=[N-].
What is the InChIKey of (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine?
The InChIKey is SZGSXQNHNCJDGB-YSLANXFLSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-11-3-5-4(9-10-8)2-6(7)12-5/h4-6H,2-3,7H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine?
(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine has a molecular weight of 172.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-amine is sourced from PubChem (CID 118673118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).