N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide

C10H18N2O4 — CID 43662793

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(C(=O)C1COCCO1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H18N2O4/c1-12(7-4-11-5-8(7)13)10(14)9-6-15-2-3-16-9/h7-9,11,13H,2-6H2,1H3/t7-,8-,9?/m1/s1
InChIKeyWHRUUUUCAGZQRS-ZAZKALAHSA-N
MW230.26 g/mol
LogP-1.81
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide (PubChem CID 43662793) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide
PubChem CID43662793
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(C(=O)C1COCCO1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H18N2O4/c1-12(7-4-11-5-8(7)13)10(14)9-6-15-2-3-16-9/h7-9,11,13H,2-6H2,1H3/t7-,8-,9?/m1/s1
InChIKeyWHRUUUUCAGZQRS-ZAZKALAHSA-N
XLogP-1.81
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide (CID 43662793) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide is CN(C(=O)C1COCCO1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide?
The InChIKey is WHRUUUUCAGZQRS-ZAZKALAHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(7-4-11-5-8(7)13)10(14)9-6-15-2-3-16-9/h7-9,11,13H,2-6H2,1H3/t7-,8-,9?/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide has a molecular weight of 230.26 g/mol, XLogP of -1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 43662793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).