[(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate

C8H11N3O3 — CID 14447114

IUPAC[(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])C=CO[C@H]1C
InChIInChI=1S/C8H11N3O3/c1-5-8(14-6(2)12)7(10-11-9)3-4-13-5/h3-5,7-8H,1-2H3/t5-,7-,8-/m0/s1
InChIKeyQBTMAHFTNMULDZ-GEVIPFJHSA-N
MW197.19 g/mol
LogP1.53
Rot. Bonds2

About [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate

[(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 14447114) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID14447114
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name[(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])C=CO[C@H]1C
InChIInChI=1S/C8H11N3O3/c1-5-8(14-6(2)12)7(10-11-9)3-4-13-5/h3-5,7-8H,1-2H3/t5-,7-,8-/m0/s1
InChIKeyQBTMAHFTNMULDZ-GEVIPFJHSA-N
XLogP1.53
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
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'}

Analyze [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate 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

(3-acetyloxy-4-azido-3,4-dihydro-2H-pyran-2-yl)methyl acetate
CID 135036899
4-O-acetyl-6-azido-3,6-dideoxy-D-glucal
CID 22808782
[(1R,2S,5S,6R)-6-acetyloxy-2,5-diazidocyclohex-3-en-1-yl] acetate
CID 10967900
[(1S,2R,5R,6S)-6-acetyloxy-2,5-diazidocyclohex-3-en-1-yl] acetate
CID 10967901
[(2S,3R,4R)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 11217826
(4-azido-3,4-dihydro-2H-pyran-3-yl) acetate
CID 12903022
[(3S,4S)-4-azido-3,4-dihydro-2H-pyran-3-yl] acetate
CID 12903024
(2R,3S,4R)-4-azido-3-(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran
CID 17755453
[(2R,3S,4S)-3-acetyloxy-4-azido-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 101118117
[(2R,3S,4R)-3-acetyloxy-4-azido-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 101118118
[(2R,3S)-3-acetyloxy-4-azido-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 101430843
[(2R,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 130909470

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate (CID 14447114) is [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])C=CO[C@H]1C.
What is the InChIKey of [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is QBTMAHFTNMULDZ-GEVIPFJHSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-8(14-6(2)12)7(10-11-9)3-4-13-5/h3-5,7-8H,1-2H3/t5-,7-,8-/m0/s1.
What are the key properties of [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
[(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 197.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-4-azido-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 14447114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).