(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid

C15H18N2O5S — CID 125152129

IUPAC(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCN1C(=O)C[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)[C@H]1c1cccs1
InChIInChI=1S/C15H18N2O5S/c1-16-12(18)7-9(13(16)11-3-2-6-23-11)14(19)17-4-5-22-10(8-17)15(20)21/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,20,21)/t9-,10-,13-/m0/s1
InChIKeyNCKDJPBUSNIBGS-KWBADKCTSA-N
MW338.39 g/mol
LogP0.58
Rot. Bonds3

About (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid

(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125152129) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID125152129
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCN1C(=O)C[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)[C@H]1c1cccs1
InChIInChI=1S/C15H18N2O5S/c1-16-12(18)7-9(13(16)11-3-2-6-23-11)14(19)17-4-5-22-10(8-17)15(20)21/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,20,21)/t9-,10-,13-/m0/s1
InChIKeyNCKDJPBUSNIBGS-KWBADKCTSA-N
XLogP0.58
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-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

(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
(4S,5S)-4-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-5-thiophen-2-ylpyrrolidin-2-one
CID 125146356
1-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953964
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 124853509
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 97099734
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
CID 119240076

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid (CID 125152129) is (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid is CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)[C@H]1c1cccs1.
What is the InChIKey of (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is NCKDJPBUSNIBGS-KWBADKCTSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-16-12(18)7-9(13(16)11-3-2-6-23-11)14(19)17-4-5-22-10(8-17)15(20)21/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,20,21)/t9-,10-,13-/m0/s1.
What are the key properties of (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125152129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).