(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide

C7H12N4O4 — CID 155490214

IUPAC(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(OC)[C@H](O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C7H12N4O4/c1-9-6(13)5-3(10-11-8)4(12)7(14-2)15-5/h3-5,7,12H,1-2H3,(H,9,13)/t3-,4+,5-,7?/m0/s1
InChIKeyGHFNDQMXLUNZTH-JHPPHWPESA-N
MW216.20 g/mol
LogP-0.86
Rot. Bonds3

About (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide

(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide (PubChem CID 155490214) has the molecular formula C7H12N4O4 and a molecular weight of 216.20 g/mol. Its IUPAC name is (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide
PubChem CID155490214
Molecular FormulaC7H12N4O4
Molecular Weight216.20 g/mol
Exact Mass216.09
IUPAC Name(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(OC)[C@H](O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C7H12N4O4/c1-9-6(13)5-3(10-11-8)4(12)7(14-2)15-5/h3-5,7,12H,1-2H3,(H,9,13)/t3-,4+,5-,7?/m0/s1
InChIKeyGHFNDQMXLUNZTH-JHPPHWPESA-N
XLogP-0.86
TPSA116.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(5S,6S,6aR)-6-azido-N,2,2-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 91121771
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
CID 10058692
(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol
CID 101128015
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol
CID 11141389
(2S,3S,4R)-3-azido-4,5-dihydroxyoxolane-2-carboxylic acid
CID 90744967
3,5-dihydroxy-6-methoxy-4-nitrosooxane-2-carboxylic acid
CID 88958522
methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate
CID 130763840
(2S,3S,4S,5S,6S)-5-acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyloxan-4-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
CID 101025929
[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
CID 23249240

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide (CID 155490214) is (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide is CNC(=O)[C@H]1OC(OC)[C@H](O)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide?
The InChIKey is GHFNDQMXLUNZTH-JHPPHWPESA-N. The full InChI is InChI=1S/C7H12N4O4/c1-9-6(13)5-3(10-11-8)4(12)7(14-2)15-5/h3-5,7,12H,1-2H3,(H,9,13)/t3-,4+,5-,7?/m0/s1.
What are the key properties of (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide?
(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide has a molecular weight of 216.20 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 155490214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).