N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide

C10H20N2O4 — CID 110133031

IUPACN-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCCN1C[C@@H](O)[C@H](NC(=O)COC)C1
InChIInChI=1S/C10H20N2O4/c1-15-4-3-12-5-8(9(13)6-12)11-10(14)7-16-2/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t8-,9-/m1/s1
InChIKeyDASGVAAUNOCWFN-RKDXNWHRSA-N
MW232.28 g/mol
LogP-1.56
Rot. Bonds6

About N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 110133031) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID110133031
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCCN1C[C@@H](O)[C@H](NC(=O)COC)C1
InChIInChI=1S/C10H20N2O4/c1-15-4-3-12-5-8(9(13)6-12)11-10(14)7-16-2/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t8-,9-/m1/s1
InChIKeyDASGVAAUNOCWFN-RKDXNWHRSA-N
XLogP-1.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.56
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-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide (CID 110133031) is N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide is COCCN1C[C@@H](O)[C@H](NC(=O)COC)C1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is DASGVAAUNOCWFN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-15-4-3-12-5-8(9(13)6-12)11-10(14)7-16-2/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 232.28 g/mol, XLogP of -1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 110133031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).