N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

C9H18N4O7S — CID 145094041

IUPACN-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESNCCONC=O.O=C1N2CCC[C@H](C2)N1OS(=O)(=O)O
InChIInChI=1S/C6H10N2O5S.C3H8N2O2/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;4-1-2-7-5-3-6/h5H,1-4H2,(H,10,11,12);3H,1-2,4H2,(H,5,6)/t5-;/m1./s1
InChIKeyPPPPGVUSMSSIOX-NUBCRITNSA-N
MW326.33 g/mol
LogP-1.76
Rot. Bonds6

About N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (PubChem CID 145094041) has the molecular formula C9H18N4O7S and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.

Molecular Properties

Compound NameN-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID145094041
Molecular FormulaC9H18N4O7S
Molecular Weight326.33 g/mol
Exact Mass326.09
IUPAC NameN-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESNCCONC=O.O=C1N2CCC[C@H](C2)N1OS(=O)(=O)O
InChIInChI=1S/C6H10N2O5S.C3H8N2O2/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;4-1-2-7-5-3-6/h5H,1-4H2,(H,10,11,12);3H,1-2,4H2,(H,5,6)/t5-;/m1./s1
InChIKeyPPPPGVUSMSSIOX-NUBCRITNSA-N
XLogP-1.76
TPSA151.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The IUPAC name of N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (CID 145094041) is N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.
What is the SMILES notation for N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The canonical SMILES for N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is NCCONC=O.O=C1N2CCC[C@H](C2)N1OS(=O)(=O)O.
What is the InChIKey of N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The InChIKey is PPPPGVUSMSSIOX-NUBCRITNSA-N. The full InChI is InChI=1S/C6H10N2O5S.C3H8N2O2/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;4-1-2-7-5-3-6/h5H,1-4H2,(H,10,11,12);3H,1-2,4H2,(H,5,6)/t5-;/m1./s1.
What are the key properties of N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate has a molecular weight of 326.33 g/mol, XLogP of -1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is sourced from PubChem (CID 145094041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).