N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide

C11H15N5O4 — CID 89390539

IUPACN-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1oc(CN=[N+]=[N-])cc(=O)c1O
InChIInChI=1S/C11H15N5O4/c1-11(2,12)5-14-10(19)9-8(18)7(17)3-6(20-9)4-15-16-13/h3,18H,4-5,12H2,1-2H3,(H,14,19)
InChIKeyCLNNCMJPJGFQOZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.62
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide

N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 89390539) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide
PubChem CID89390539
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC NameN-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1oc(CN=[N+]=[N-])cc(=O)c1O
InChIInChI=1S/C11H15N5O4/c1-11(2,12)5-14-10(19)9-8(18)7(17)3-6(20-9)4-15-16-13/h3,18H,4-5,12H2,1-2H3,(H,14,19)
InChIKeyCLNNCMJPJGFQOZ-UHFFFAOYSA-N
XLogP0.62
TPSA154.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide (CID 89390539) is N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide is CC(C)(N)CNC(=O)c1oc(CN=[N+]=[N-])cc(=O)c1O.
What is the InChIKey of N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is CLNNCMJPJGFQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-11(2,12)5-14-10(19)9-8(18)7(17)3-6(20-9)4-15-16-13/h3,18H,4-5,12H2,1-2H3,(H,14,19).
What are the key properties of N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 89390539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).