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

C14H19ClN2O3 — CID 110133028

IUPACN-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1O
InChIInChI=1S/C14H19ClN2O3/c1-20-9-14(19)16-12-7-17(8-13(12)18)6-10-4-2-3-5-11(10)15/h2-5,12-13,18H,6-9H2,1H3,(H,16,19)/t12-,13-/m1/s1
InChIKeySIYSECCKJVCXFW-CHWSQXEVSA-N
MW298.77 g/mol
LogP0.65
Rot. Bonds5

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

N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 110133028) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID110133028
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1O
InChIInChI=1S/C14H19ClN2O3/c1-20-9-14(19)16-12-7-17(8-13(12)18)6-10-4-2-3-5-11(10)15/h2-5,12-13,18H,6-9H2,1H3,(H,16,19)/t12-,13-/m1/s1
InChIKeySIYSECCKJVCXFW-CHWSQXEVSA-N
XLogP0.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133031
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133062
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
N-[(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133048
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
N-[1-[7-[(2-chlorophenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl]-2-methoxyacetamide
CID 45178975
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide (CID 110133028) is N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is SIYSECCKJVCXFW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-9-14(19)16-12-7-17(8-13(12)18)6-10-4-2-3-5-11(10)15/h2-5,12-13,18H,6-9H2,1H3,(H,16,19)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 298.77 g/mol, XLogP of 0.65, 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-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 110133028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).