(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol

C11H23N3O2 — CID 67891619

IUPAC(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol
SMILESNC1CC(CNC[C@@H]2CC[C@@H](N)[C@@H](O)O2)C1
InChIInChI=1S/C11H23N3O2/c12-8-3-7(4-8)5-14-6-9-1-2-10(13)11(15)16-9/h7-11,14-15H,1-6,12-13H2/t7?,8?,9-,10+,11-/m0/s1
InChIKeyZFKWPQPXVTWSEL-XMQAKKJDSA-N
MW229.32 g/mol
LogP-0.86
Rot. Bonds4

About (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol

(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol (PubChem CID 67891619) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol.

Molecular Properties

Compound Name(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol
PubChem CID67891619
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol
SMILESNC1CC(CNC[C@@H]2CC[C@@H](N)[C@@H](O)O2)C1
InChIInChI=1S/C11H23N3O2/c12-8-3-7(4-8)5-14-6-9-1-2-10(13)11(15)16-9/h7-11,14-15H,1-6,12-13H2/t7?,8?,9-,10+,11-/m0/s1
InChIKeyZFKWPQPXVTWSEL-XMQAKKJDSA-N
XLogP-0.86
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol?
The IUPAC name of (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol (CID 67891619) is (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol.
What is the SMILES notation for (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol?
The canonical SMILES for (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol is NC1CC(CNC[C@@H]2CC[C@@H](N)[C@@H](O)O2)C1.
What is the InChIKey of (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol?
The InChIKey is ZFKWPQPXVTWSEL-XMQAKKJDSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-8-3-7(4-8)5-14-6-9-1-2-10(13)11(15)16-9/h7-11,14-15H,1-6,12-13H2/t7?,8?,9-,10+,11-/m0/s1.
What are the key properties of (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol?
(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol has a molecular weight of 229.32 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-ol is sourced from PubChem (CID 67891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).