[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium

C11H28N3O3+3 — CID 2260103

IUPAC[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium
SMILESC[NH+](C[C@@H](O)C[NH+]1CCOCC1)C[C@@H](O)C[NH3+]
InChIInChI=1S/C11H25N3O3/c1-13(7-10(15)6-12)8-11(16)9-14-2-4-17-5-3-14/h10-11,15-16H,2-9,12H2,1H3/p+3/t10-,11+/m0/s1
InChIKeyAYVAORLANJRFAB-WDEREUQCSA-Q
MW250.36 g/mol
LogP-5.62
Rot. Bonds7

About [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium

[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium (PubChem CID 2260103) has the molecular formula C11H28N3O3+3 and a molecular weight of 250.36 g/mol. Its IUPAC name is [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium
PubChem CID2260103
Molecular FormulaC11H28N3O3+3
Molecular Weight250.36 g/mol
Exact Mass250.21
IUPAC Name[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium
SMILESC[NH+](C[C@@H](O)C[NH+]1CCOCC1)C[C@@H](O)C[NH3+]
InChIInChI=1S/C11H25N3O3/c1-13(7-10(15)6-12)8-11(16)9-14-2-4-17-5-3-14/h10-11,15-16H,2-9,12H2,1H3/p+3/t10-,11+/m0/s1
InChIKeyAYVAORLANJRFAB-WDEREUQCSA-Q
XLogP-5.62
TPSA86.21 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-5.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium?
The IUPAC name of [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium (CID 2260103) is [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium.
What is the SMILES notation for [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium?
The canonical SMILES for [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium is C[NH+](C[C@@H](O)C[NH+]1CCOCC1)C[C@@H](O)C[NH3+].
What is the InChIKey of [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium?
The InChIKey is AYVAORLANJRFAB-WDEREUQCSA-Q. The full InChI is InChI=1S/C11H25N3O3/c1-13(7-10(15)6-12)8-11(16)9-14-2-4-17-5-3-14/h10-11,15-16H,2-9,12H2,1H3/p+3/t10-,11+/m0/s1.
What are the key properties of [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium?
[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium has a molecular weight of 250.36 g/mol, XLogP of -5.62, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-methylazanium is sourced from PubChem (CID 2260103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).