(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol

C10H21NO3 — CID 142979372

IUPAC(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
SMILESC[C@@H]1[C@@H](O)CCN1C(O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7-8(12)5-6-11(7)9(13)14-10(2,3)4/h7-9,12-13H,5-6H2,1-4H3/t7-,8+,9?/m1/s1
InChIKeyQKBZMJWCYSLKJQ-WGTSGOJVSA-N
MW203.28 g/mol
LogP0.53
Rot. Bonds2

About (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol

(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol (PubChem CID 142979372) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
PubChem CID142979372
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
SMILESC[C@@H]1[C@@H](O)CCN1C(O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7-8(12)5-6-11(7)9(13)14-10(2,3)4/h7-9,12-13H,5-6H2,1-4H3/t7-,8+,9?/m1/s1
InChIKeyQKBZMJWCYSLKJQ-WGTSGOJVSA-N
XLogP0.53
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol?
The IUPAC name of (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol (CID 142979372) is (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol is C[C@@H]1[C@@H](O)CCN1C(O)OC(C)(C)C.
What is the InChIKey of (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol?
The InChIKey is QKBZMJWCYSLKJQ-WGTSGOJVSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7-8(12)5-6-11(7)9(13)14-10(2,3)4/h7-9,12-13H,5-6H2,1-4H3/t7-,8+,9?/m1/s1.
What are the key properties of (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol?
(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol has a molecular weight of 203.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 142979372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).