(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol

C11H21NO2 — CID 131140533

IUPAC(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol
SMILESCC(C)C1CC(N[C@@H]2COC[C@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-7(2)8-3-9(4-8)12-10-5-14-6-11(10)13/h7-13H,3-6H2,1-2H3/t8?,9?,10-,11-/m1/s1
InChIKeyBYBVHDMEHNKLPK-JPPWEJMLSA-N
MW199.29 g/mol
LogP0.77
Rot. Bonds3

About (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol

(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol (PubChem CID 131140533) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol
PubChem CID131140533
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol
SMILESCC(C)C1CC(N[C@@H]2COC[C@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-7(2)8-3-9(4-8)12-10-5-14-6-11(10)13/h7-13H,3-6H2,1-2H3/t8?,9?,10-,11-/m1/s1
InChIKeyBYBVHDMEHNKLPK-JPPWEJMLSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol (CID 131140533) is (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol is CC(C)C1CC(N[C@@H]2COC[C@H]2O)C1.
What is the InChIKey of (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol?
The InChIKey is BYBVHDMEHNKLPK-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)8-3-9(4-8)12-10-5-14-6-11(10)13/h7-13H,3-6H2,1-2H3/t8?,9?,10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol?
(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol is sourced from PubChem (CID 131140533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).