(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide

C11H20N2O3 — CID 129351492

IUPAC(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC[C@@H]1CO
InChIInChI=1S/C11H20N2O3/c14-8-10-2-1-5-13(10)11(15)12-9-3-6-16-7-4-9/h9-10,14H,1-8H2,(H,12,15)/t10-/m1/s1
InChIKeyYNICYHQLOJAAQD-SNVBAGLBSA-N
MW228.29 g/mol
LogP0.33
Rot. Bonds2

About (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 129351492) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID129351492
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC[C@@H]1CO
InChIInChI=1S/C11H20N2O3/c14-8-10-2-1-5-13(10)11(15)12-9-3-6-16-7-4-9/h9-10,14H,1-8H2,(H,12,15)/t10-/m1/s1
InChIKeyYNICYHQLOJAAQD-SNVBAGLBSA-N
XLogP0.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide (CID 129351492) is (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is YNICYHQLOJAAQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-8-10-2-1-5-13(10)11(15)12-9-3-6-16-7-4-9/h9-10,14H,1-8H2,(H,12,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129351492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).