N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide

C7H11N3O3 — CID 139432025

IUPACN-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide
SMILESO=CN[C@@H]1CC[C@@H]2CN1C(=O)N2O
InChIInChI=1S/C7H11N3O3/c11-4-8-6-2-1-5-3-9(6)7(12)10(5)13/h4-6,13H,1-3H2,(H,8,11)/t5-,6+/m1/s1
InChIKeyUAUCNDPRFOWHNP-RITPCOANSA-N
MW185.18 g/mol
LogP-0.65
Rot. Bonds2

About N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide

N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide (PubChem CID 139432025) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide
PubChem CID139432025
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide
SMILESO=CN[C@@H]1CC[C@@H]2CN1C(=O)N2O
InChIInChI=1S/C7H11N3O3/c11-4-8-6-2-1-5-3-9(6)7(12)10(5)13/h4-6,13H,1-3H2,(H,8,11)/t5-,6+/m1/s1
InChIKeyUAUCNDPRFOWHNP-RITPCOANSA-N
XLogP-0.65
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

6-Hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 21942036
1,6-Diazabicyclo[3.2.1]octan-7-one
CID 55299161
(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 89834360
(5R)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 90170087
(5S)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 93499930
(5S)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 97052328
(2R,5S)-6-hydroxy-2-isocyano-1,6-diazabicyclo[3.2.1]octan-7-one
CID 123171387
(2R,5R)-6-hydroxy-2-isocyano-1,6-diazabicyclo[3.2.1]octan-7-one
CID 123443010
[(2S,5R)-2-formamido-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 126557514
Formamide;6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144695972
CID 153400913
CID 153400913

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide?
The IUPAC name of N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide (CID 139432025) is N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide.
What is the SMILES notation for N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide?
The canonical SMILES for N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide is O=CN[C@@H]1CC[C@@H]2CN1C(=O)N2O.
What is the InChIKey of N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide?
The InChIKey is UAUCNDPRFOWHNP-RITPCOANSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-4-8-6-2-1-5-3-9(6)7(12)10(5)13/h4-6,13H,1-3H2,(H,8,11)/t5-,6+/m1/s1.
What are the key properties of N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide?
N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide has a molecular weight of 185.18 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide is sourced from PubChem (CID 139432025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).