(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

C17H22N2O4 — CID 94217776

IUPAC(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O4/c20-15-12-14(17(21)22)16(13-4-2-1-3-5-13)19(15)7-6-18-8-10-23-11-9-18/h1-5,14,16H,6-12H2,(H,21,22)/t14-,16+/m0/s1
InChIKeyMFTFISPEYSUOGI-GOEBONIOSA-N
MW318.37 g/mol
LogP0.99
Rot. Bonds5

About (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (PubChem CID 94217776) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
PubChem CID94217776
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O4/c20-15-12-14(17(21)22)16(13-4-2-1-3-5-13)19(15)7-6-18-8-10-23-11-9-18/h1-5,14,16H,6-12H2,(H,21,22)/t14-,16+/m0/s1
InChIKeyMFTFISPEYSUOGI-GOEBONIOSA-N
XLogP0.99
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 167962449
(2R,3R)-2-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 95763632
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
CID 95291759
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
2-methyl-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidin-4-one
CID 83245208
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (CID 94217776) is (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is MFTFISPEYSUOGI-GOEBONIOSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15-12-14(17(21)22)16(13-4-2-1-3-5-13)19(15)7-6-18-8-10-23-11-9-18/h1-5,14,16H,6-12H2,(H,21,22)/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).