(2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide

C11H19NO4 — CID 124859550

IUPAC(2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@H]1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C11H19NO4/c1-8-5-7-15-10(8)11(13)12-16-9-4-2-3-6-14-9/h8-10H,2-7H2,1H3,(H,12,13)/t8-,9+,10-/m1/s1
InChIKeyCFIQOEREQZWAGR-KXUCPTDWSA-N
MW229.28 g/mol
LogP0.99
Rot. Bonds3

About (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide

(2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide (PubChem CID 124859550) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide
PubChem CID124859550
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@H]1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C11H19NO4/c1-8-5-7-15-10(8)11(13)12-16-9-4-2-3-6-14-9/h8-10H,2-7H2,1H3,(H,12,13)/t8-,9+,10-/m1/s1
InChIKeyCFIQOEREQZWAGR-KXUCPTDWSA-N
XLogP0.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide?
The IUPAC name of (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide (CID 124859550) is (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide?
The canonical SMILES for (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide is C[C@@H]1CCO[C@H]1C(=O)NO[C@H]1CCCCO1.
What is the InChIKey of (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide?
The InChIKey is CFIQOEREQZWAGR-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-5-7-15-10(8)11(13)12-16-9-4-2-3-6-14-9/h8-10H,2-7H2,1H3,(H,12,13)/t8-,9+,10-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide?
(2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-N-[(2S)-oxan-2-yl]oxyoxolane-2-carboxamide is sourced from PubChem (CID 124859550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).