(5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one

C10H19NO4 — CID 138727426

IUPAC(5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one
SMILESCOC(C)(C)OCC1C[C@@H](CO)NC1=O
InChIInChI=1S/C10H19NO4/c1-10(2,14-3)15-6-7-4-8(5-12)11-9(7)13/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyMPXGBJVFZQMAOL-MQWKRIRWSA-N
MW217.26 g/mol
LogP-0.12
Rot. Bonds5

About (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one

(5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one (PubChem CID 138727426) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one
PubChem CID138727426
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one
SMILESCOC(C)(C)OCC1C[C@@H](CO)NC1=O
InChIInChI=1S/C10H19NO4/c1-10(2,14-3)15-6-7-4-8(5-12)11-9(7)13/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyMPXGBJVFZQMAOL-MQWKRIRWSA-N
XLogP-0.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.12
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 (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one (CID 138727426) is (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one is COC(C)(C)OCC1C[C@@H](CO)NC1=O.
What is the InChIKey of (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one?
The InChIKey is MPXGBJVFZQMAOL-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,14-3)15-6-7-4-8(5-12)11-9(7)13/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7?,8-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one?
(5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one has a molecular weight of 217.26 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-3-(2-methoxypropan-2-yloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 138727426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).