2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid

C16H20N2O6S — CID 125120159

IUPAC2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1
InChIInChI=1S/C16H20N2O6S/c19-15(20)10-14-11-17(6-7-24-14)16(21)12-3-1-4-13(9-12)18-5-2-8-25(18,22)23/h1,3-4,9,14H,2,5-8,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyLYGJXGIIOOGKLV-CQSZACIVSA-N
MW368.41 g/mol
LogP0.54
Rot. Bonds4

About 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 125120159) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
PubChem CID125120159
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1
InChIInChI=1S/C16H20N2O6S/c19-15(20)10-14-11-17(6-7-24-14)16(21)12-3-1-4-13(9-12)18-5-2-8-25(18,22)23/h1,3-4,9,14H,2,5-8,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyLYGJXGIIOOGKLV-CQSZACIVSA-N
XLogP0.54
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
CID 119247768
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 92893031
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120998010
2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid (CID 125120159) is 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1.
What is the InChIKey of 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is LYGJXGIIOOGKLV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O6S/c19-15(20)10-14-11-17(6-7-24-14)16(21)12-3-1-4-13(9-12)18-5-2-8-25(18,22)23/h1,3-4,9,14H,2,5-8,10-11H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 368.41 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125120159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).