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

C11H16N2O5S — CID 129381156

IUPAC2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)CN1CSCC1=O
InChIInChI=1S/C11H16N2O5S/c14-9(4-12-7-19-6-10(12)15)13-1-2-18-5-8(13)3-11(16)17/h8H,1-7H2,(H,16,17)/t8-/m1/s1
InChIKeyXQUKBIUFRBXHIE-MRVPVSSYSA-N
MW288.32 g/mol
LogP-0.78
Rot. Bonds4

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

2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid (PubChem CID 129381156) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
PubChem CID129381156
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)CN1CSCC1=O
InChIInChI=1S/C11H16N2O5S/c14-9(4-12-7-19-6-10(12)15)13-1-2-18-5-8(13)3-11(16)17/h8H,1-7H2,(H,16,17)/t8-/m1/s1
InChIKeyXQUKBIUFRBXHIE-MRVPVSSYSA-N
XLogP-0.78
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
CID 95714732
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010949
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[4-(thiolan-3-ylmethylcarbamoyl)morpholin-3-yl]acetic acid
CID 107297364
3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
CID 46993756
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid (CID 129381156) is 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid?
The InChIKey is XQUKBIUFRBXHIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c14-9(4-12-7-19-6-10(12)15)13-1-2-18-5-8(13)3-11(16)17/h8H,1-7H2,(H,16,17)/t8-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129381156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).