N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide

C14H20N2O3 — CID 110133026

IUPACN-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20N2O3/c1-19-10-14(18)15-12-8-16(9-13(12)17)7-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyFEAZDJIIPCLVOE-CHWSQXEVSA-N
MW264.32 g/mol
LogP-0.01
Rot. Bonds5

About N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 110133026) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID110133026
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20N2O3/c1-19-10-14(18)15-12-8-16(9-13(12)17)7-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyFEAZDJIIPCLVOE-CHWSQXEVSA-N
XLogP-0.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133028
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133031
N-[(3R,4R)-1-(2,2-dimethylpropyl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133036
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133062
methyl 4-[[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]amino]benzoate
CID 24783887
N-[(3R,4R)-1-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 129456568
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
CID 59394921
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide (CID 110133026) is N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is FEAZDJIIPCLVOE-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-10-14(18)15-12-8-16(9-13(12)17)7-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 264.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 110133026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).