[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium

C5H14N2O2+2 — CID 23250057

IUPAC[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium
SMILES[NH3+][C@H]1[C@@H](O)[C@@H](O)C[C@@H]1[NH3+]
InChIInChI=1S/C5H12N2O2/c6-2-1-3(8)5(9)4(2)7/h2-5,8-9H,1,6-7H2/p+2/t2-,3-,4+,5-/m0/s1
InChIKeySPUJACCASZGKBX-KLVWXMOXSA-P
MW134.18 g/mol
LogP-3.67
Rot. Bonds

About [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium

[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium (PubChem CID 23250057) has the molecular formula C5H14N2O2+2 and a molecular weight of 134.18 g/mol. Its IUPAC name is [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium.

Molecular Properties

Compound Name[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium
PubChem CID23250057
Molecular FormulaC5H14N2O2+2
Molecular Weight134.18 g/mol
Exact Mass134.10
IUPAC Name[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium
SMILES[NH3+][C@H]1[C@@H](O)[C@@H](O)C[C@@H]1[NH3+]
InChIInChI=1S/C5H12N2O2/c6-2-1-3(8)5(9)4(2)7/h2-5,8-9H,1,6-7H2/p+2/t2-,3-,4+,5-/m0/s1
InChIKeySPUJACCASZGKBX-KLVWXMOXSA-P
XLogP-3.67
TPSA95.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-3.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium 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 [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium?
The IUPAC name of [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium (CID 23250057) is [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium.
What is the SMILES notation for [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium?
The canonical SMILES for [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium is [NH3+][C@H]1[C@@H](O)[C@@H](O)C[C@@H]1[NH3+].
What is the InChIKey of [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium?
The InChIKey is SPUJACCASZGKBX-KLVWXMOXSA-P. The full InChI is InChI=1S/C5H12N2O2/c6-2-1-3(8)5(9)4(2)7/h2-5,8-9H,1,6-7H2/p+2/t2-,3-,4+,5-/m0/s1.
What are the key properties of [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium?
[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium has a molecular weight of 134.18 g/mol, XLogP of -3.67, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium is sourced from PubChem (CID 23250057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).