2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C11H18N6O3 — CID 91798102

IUPAC2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCOC[C@@H]1[C@H](NC(=O)Cn2nnnc2N)[C@@H]2CCO[C@H]12
InChIInChI=1S/C11H18N6O3/c1-19-5-7-9(6-2-3-20-10(6)7)13-8(18)4-17-11(12)14-15-16-17/h6-7,9-10H,2-5H2,1H3,(H,13,18)(H2,12,14,16)/t6-,7+,9+,10-/m0/s1
InChIKeyDCXIMAVFESVECW-WDQPUEAGSA-N
MW282.30 g/mol
LogP-1.58
Rot. Bonds5

About 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91798102) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91798102
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCOC[C@@H]1[C@H](NC(=O)Cn2nnnc2N)[C@@H]2CCO[C@H]12
InChIInChI=1S/C11H18N6O3/c1-19-5-7-9(6-2-3-20-10(6)7)13-8(18)4-17-11(12)14-15-16-17/h6-7,9-10H,2-5H2,1H3,(H,13,18)(H2,12,14,16)/t6-,7+,9+,10-/m0/s1
InChIKeyDCXIMAVFESVECW-WDQPUEAGSA-N
XLogP-1.58
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide 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 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91798102) is 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is COC[C@@H]1[C@H](NC(=O)Cn2nnnc2N)[C@@H]2CCO[C@H]12.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is DCXIMAVFESVECW-WDQPUEAGSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-19-5-7-9(6-2-3-20-10(6)7)13-8(18)4-17-11(12)14-15-16-17/h6-7,9-10H,2-5H2,1H3,(H,13,18)(H2,12,14,16)/t6-,7+,9+,10-/m0/s1.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 282.30 g/mol, XLogP of -1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91798102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).