2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate

C15H27N5O8S — CID 145222759

IUPAC2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
SMILESO=C1N2CCCC(C2)N1OS(=O)(=O)O.O=CNCC(=O)NOC[C@H]1CCCCN1
InChIInChI=1S/C9H17N3O3.C6H10N2O5S/c13-7-10-5-9(14)12-15-6-8-3-1-2-4-11-8;9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12/h7-8,11H,1-6H2,(H,10,13)(H,12,14);5H,1-4H2,(H,10,11,12)/t8-;/m1./s1
InChIKeyXSVJRNZSUDHEDP-DDWIOCJRSA-N
MW437.48 g/mol
LogP-1.46
Rot. Bonds8

About 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate

2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate (PubChem CID 145222759) has the molecular formula C15H27N5O8S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate.

Molecular Properties

Compound Name2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
PubChem CID145222759
Molecular FormulaC15H27N5O8S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC Name2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
SMILESO=C1N2CCCC(C2)N1OS(=O)(=O)O.O=CNCC(=O)NOC[C@H]1CCCCN1
InChIInChI=1S/C9H17N3O3.C6H10N2O5S/c13-7-10-5-9(14)12-15-6-8-3-1-2-4-11-8;9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12/h7-8,11H,1-6H2,(H,10,13)(H,12,14);5H,1-4H2,(H,10,11,12)/t8-;/m1./s1
InChIKeyXSVJRNZSUDHEDP-DDWIOCJRSA-N
XLogP-1.46
TPSA166.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate?
The IUPAC name of 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate (CID 145222759) is 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate.
What is the SMILES notation for 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate?
The canonical SMILES for 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate is O=C1N2CCCC(C2)N1OS(=O)(=O)O.O=CNCC(=O)NOC[C@H]1CCCCN1.
What is the InChIKey of 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate?
The InChIKey is XSVJRNZSUDHEDP-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17N3O3.C6H10N2O5S/c13-7-10-5-9(14)12-15-6-8-3-1-2-4-11-8;9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12/h7-8,11H,1-6H2,(H,10,13)(H,12,14);5H,1-4H2,(H,10,11,12)/t8-;/m1./s1.
What are the key properties of 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate?
2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate has a molecular weight of 437.48 g/mol, XLogP of -1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-[[(2R)-piperidin-2-yl]methoxy]acetamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate is sourced from PubChem (CID 145222759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).