1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one

C19H26N2O4 — CID 134704218

IUPAC1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C19H26N2O4/c22-14-16-19(15-6-2-1-3-7-15)21(12-13-25-16)18(24)9-5-11-20-10-4-8-17(20)23/h1-3,6-7,16,19,22H,4-5,8-14H2/t16-,19-/m1/s1
InChIKeyUMUHSZIKOVCJNA-VQIMIIECSA-N
MW346.43 g/mol
LogP1.35
Rot. Bonds6

About 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 134704218) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID134704218
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C19H26N2O4/c22-14-16-19(15-6-2-1-3-7-15)21(12-13-25-16)18(24)9-5-11-20-10-4-8-17(20)23/h1-3,6-7,16,19,22H,4-5,8-14H2/t16-,19-/m1/s1
InChIKeyUMUHSZIKOVCJNA-VQIMIIECSA-N
XLogP1.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 134712444
(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621734
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134714534
1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 74251567
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
CID 134705614
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 134698892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one (CID 134704218) is 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one is O=C1CCCN1CCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is UMUHSZIKOVCJNA-VQIMIIECSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-14-16-19(15-6-2-1-3-7-15)21(12-13-25-16)18(24)9-5-11-20-10-4-8-17(20)23/h1-3,6-7,16,19,22H,4-5,8-14H2/t16-,19-/m1/s1.
What are the key properties of 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 134704218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).