trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol

C6H13NO2 — CID 151135809

IUPACtrans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol
SMILESCN(C)[C@]1(O)CC[C@H]1O
InChIInChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5(6)8/h5,8-9H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyMVEMMOMAJSNFAX-RITPCOANSA-N
MW131.17 g/mol
LogP-0.61
Rot. Bonds1

About trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol

trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol (PubChem CID 151135809) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol
PubChem CID151135809
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Nametrans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol
SMILESCN(C)[C@]1(O)CC[C@H]1O
InChIInChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5(6)8/h5,8-9H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyMVEMMOMAJSNFAX-RITPCOANSA-N
XLogP-0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol?
The IUPAC name of trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol (CID 151135809) is trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol.
What is the SMILES notation for trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol?
The canonical SMILES for trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol is CN(C)[C@]1(O)CC[C@H]1O.
What is the InChIKey of trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol?
The InChIKey is MVEMMOMAJSNFAX-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5(6)8/h5,8-9H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol?
trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol has a molecular weight of 131.17 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol is sourced from PubChem (CID 151135809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).