2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide

C17H26N2O6 — CID 11360195

IUPAC2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide
SMILESCOCO[C@@H]1[C@@H](CC(=O)NO)N(Cc2ccccc2)C[C@H]1OCOC
InChIInChI=1S/C17H26N2O6/c1-22-11-24-15-10-19(9-13-6-4-3-5-7-13)14(8-16(20)18-21)17(15)25-12-23-2/h3-7,14-15,17,21H,8-12H2,1-2H3,(H,18,20)/t14-,15-,17-/m1/s1
InChIKeySHHAELWOLMBBGQ-BFYDXBDKSA-N
MW354.40 g/mol
LogP0.74
Rot. Bonds10

About 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide

2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide (PubChem CID 11360195) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide
PubChem CID11360195
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide
SMILESCOCO[C@@H]1[C@@H](CC(=O)NO)N(Cc2ccccc2)C[C@H]1OCOC
InChIInChI=1S/C17H26N2O6/c1-22-11-24-15-10-19(9-13-6-4-3-5-7-13)14(8-16(20)18-21)17(15)25-12-23-2/h3-7,14-15,17,21H,8-12H2,1-2H3,(H,18,20)/t14-,15-,17-/m1/s1
InChIKeySHHAELWOLMBBGQ-BFYDXBDKSA-N
XLogP0.74
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3R,4R)-1-benzyl-3,4-dibutoxypyrrolidin-2-yl]acetic acid
CID 90059635
N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide
CID 118287479
(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol
CID 10518569
(2S,3S,4S)-1-hydroxy-3,4-bis(methoxymethoxy)-2-(4-phenylmethoxybutyl)pyrrolidine
CID 10429185
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
tert-butyl (2R,3R,4R,5R)-2-ethenyl-5-(methoxymethoxy)-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 11352172
methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
CID 90060732
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide (CID 11360195) is 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide is COCO[C@@H]1[C@@H](CC(=O)NO)N(Cc2ccccc2)C[C@H]1OCOC.
What is the InChIKey of 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide?
The InChIKey is SHHAELWOLMBBGQ-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-22-11-24-15-10-19(9-13-6-4-3-5-7-13)14(8-16(20)18-21)17(15)25-12-23-2/h3-7,14-15,17,21H,8-12H2,1-2H3,(H,18,20)/t14-,15-,17-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide?
2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide has a molecular weight of 354.40 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 11360195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).