(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H20N2O3 — CID 107218110

IUPAC(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@H]2CO)CCOCC1
InChIInChI=1S/C11H20N2O3/c12-11(3-6-16-7-4-11)10(15)13-5-1-2-9(13)8-14/h9,14H,1-8,12H2/t9-/m0/s1
InChIKeyUDESNTGFTDWTKE-VIFPVBQESA-N
MW228.29 g/mol
LogP-0.52
Rot. Bonds2

About (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 107218110) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID107218110
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@H]2CO)CCOCC1
InChIInChI=1S/C11H20N2O3/c12-11(3-6-16-7-4-11)10(15)13-5-1-2-9(13)8-14/h9,14H,1-8,12H2/t9-/m0/s1
InChIKeyUDESNTGFTDWTKE-VIFPVBQESA-N
XLogP-0.52
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 107218110) is (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is NC1(C(=O)N2CCC[C@H]2CO)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UDESNTGFTDWTKE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c12-11(3-6-16-7-4-11)10(15)13-5-1-2-9(13)8-14/h9,14H,1-8,12H2/t9-/m0/s1.
What are the key properties of (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 228.29 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107218110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).