4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one

C14H20N2O2 — CID 139782002

IUPAC4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
SMILESCOC[C@@H](N)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-10-13(15)12-7-14(17)16(9-12)8-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t12?,13-/m1/s1
InChIKeyQZUZZALNYOPYRT-ZGTCLIOFSA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds5

About 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one

4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one (PubChem CID 139782002) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
PubChem CID139782002
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
SMILESCOC[C@@H](N)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-10-13(15)12-7-14(17)16(9-12)8-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t12?,13-/m1/s1
InChIKeyQZUZZALNYOPYRT-ZGTCLIOFSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82175991
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632586
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
(4S)-1-benzyl-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one;(3S)-1-benzyl-5-oxopyrrolidine-3-carbaldehyde
CID 157458587
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
N-methoxymethanamine;methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 123682959

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one?
The IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one (CID 139782002) is 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one.
What is the SMILES notation for 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one?
The canonical SMILES for 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one is COC[C@@H](N)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one?
The InChIKey is QZUZZALNYOPYRT-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-13(15)12-7-14(17)16(9-12)8-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t12?,13-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one?
4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 139782002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).