4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

C17H20N2O5S — CID 119215873

IUPAC4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCSc1ccc(N2CC(C(=O)N3CCOCC3C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H20N2O5S/c1-25-13-4-2-12(3-5-13)19-9-11(8-15(19)20)16(21)18-6-7-24-10-14(18)17(22)23/h2-5,11,14H,6-10H2,1H3,(H,22,23)
InChIKeyYVDNMTYGERXCGH-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.07
Rot. Bonds4

About 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119215873) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID119215873
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCSc1ccc(N2CC(C(=O)N3CCOCC3C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H20N2O5S/c1-25-13-4-2-12(3-5-13)19-9-11(8-15(19)20)16(21)18-6-7-24-10-14(18)17(22)23/h2-5,11,14H,6-10H2,1H3,(H,22,23)
InChIKeyYVDNMTYGERXCGH-UHFFFAOYSA-N
XLogP1.07
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119216244
(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125152997
4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215864
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(3R)-4-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125119389
4-(4-cyclopentylpiperazine-1-carbonyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55584434
1-(4-methylsulfanylphenyl)-N-(4-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 55742273
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 120658628
(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 33225652
(3R)-4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125419089
4-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 126791996

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (CID 119215873) is 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is CSc1ccc(N2CC(C(=O)N3CCOCC3C(=O)O)CC2=O)cc1.
What is the InChIKey of 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is YVDNMTYGERXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-25-13-4-2-12(3-5-13)19-9-11(8-15(19)20)16(21)18-6-7-24-10-14(18)17(22)23/h2-5,11,14H,6-10H2,1H3,(H,22,23).
What are the key properties of 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 364.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).