[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol

C10H21NO2 — CID 167135266

IUPAC[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol
SMILESCC(C)[C@@H](C)NC(O)C1(C)COC1
InChIInChI=1S/C10H21NO2/c1-7(2)8(3)11-9(12)10(4)5-13-6-10/h7-9,11-12H,5-6H2,1-4H3/t8-,9?/m1/s1
InChIKeyUGVQQBWJPQTSEJ-VEDVMXKPSA-N
MW187.28 g/mol
LogP0.98
Rot. Bonds4

About [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol

[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol (PubChem CID 167135266) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol.

Molecular Properties

Compound Name[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol
PubChem CID167135266
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol
SMILESCC(C)[C@@H](C)NC(O)C1(C)COC1
InChIInChI=1S/C10H21NO2/c1-7(2)8(3)11-9(12)10(4)5-13-6-10/h7-9,11-12H,5-6H2,1-4H3/t8-,9?/m1/s1
InChIKeyUGVQQBWJPQTSEJ-VEDVMXKPSA-N
XLogP0.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.98
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 [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol?
The IUPAC name of [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol (CID 167135266) is [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol.
What is the SMILES notation for [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol?
The canonical SMILES for [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol is CC(C)[C@@H](C)NC(O)C1(C)COC1.
What is the InChIKey of [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol?
The InChIKey is UGVQQBWJPQTSEJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)8(3)11-9(12)10(4)5-13-6-10/h7-9,11-12H,5-6H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol?
[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol has a molecular weight of 187.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol is sourced from PubChem (CID 167135266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).