trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol

C8H16N2O2 — CID 131701473

IUPACtrans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1NN1CCOCC1
InChIInChI=1S/C8H16N2O2/c11-8-2-1-7(8)9-10-3-5-12-6-4-10/h7-9,11H,1-6H2/t7-,8-/m1/s1
InChIKeyGVQFMMGWIMTJFP-HTQZYQBOSA-N
MW172.23 g/mol
LogP-0.65
Rot. Bonds2

About trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol

trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol (PubChem CID 131701473) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol
PubChem CID131701473
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nametrans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1NN1CCOCC1
InChIInChI=1S/C8H16N2O2/c11-8-2-1-7(8)9-10-3-5-12-6-4-10/h7-9,11H,1-6H2/t7-,8-/m1/s1
InChIKeyGVQFMMGWIMTJFP-HTQZYQBOSA-N
XLogP-0.65
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol (CID 131701473) is trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol is O[C@@H]1CC[C@H]1NN1CCOCC1.
What is the InChIKey of trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol?
The InChIKey is GVQFMMGWIMTJFP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8-2-1-7(8)9-10-3-5-12-6-4-10/h7-9,11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol?
trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol has a molecular weight of 172.23 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(morpholin-4-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 131701473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).