2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

C7H11N3O3 — CID 153409356

IUPAC2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESNC(=O)C1(O)CCC2CN1C(=O)N2
InChIInChI=1S/C7H11N3O3/c8-5(11)7(13)2-1-4-3-10(7)6(12)9-4/h4,13H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyAIXLPVBEHYRJMX-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.65
Rot. Bonds1

About 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 153409356) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
PubChem CID153409356
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESNC(=O)C1(O)CCC2CN1C(=O)N2
InChIInChI=1S/C7H11N3O3/c8-5(11)7(13)2-1-4-3-10(7)6(12)9-4/h4,13H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyAIXLPVBEHYRJMX-UHFFFAOYSA-N
XLogP-1.65
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (CID 153409356) is 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is NC(=O)C1(O)CCC2CN1C(=O)N2.
What is the InChIKey of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is AIXLPVBEHYRJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-5(11)7(13)2-1-4-3-10(7)6(12)9-4/h4,13H,1-3H2,(H2,8,11)(H,9,12).
What are the key properties of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 153409356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).