2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid

C18H24N2O6 — CID 91793018

IUPAC2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H24N2O6/c21-17(22)12-26-16-11-25-8-5-14(16)19-18(23)13-3-1-2-4-15(13)20-6-9-24-10-7-20/h1-4,14,16H,5-12H2,(H,19,23)(H,21,22)/t14-,16-/m1/s1
InChIKeyOYTWYQMIIHOHMR-GDBMZVCRSA-N
MW364.40 g/mol
LogP0.51
Rot. Bonds6

About 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid

2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid (PubChem CID 91793018) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
PubChem CID91793018
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H24N2O6/c21-17(22)12-26-16-11-25-8-5-14(16)19-18(23)13-3-1-2-4-15(13)20-6-9-24-10-7-20/h1-4,14,16H,5-12H2,(H,19,23)(H,21,22)/t14-,16-/m1/s1
InChIKeyOYTWYQMIIHOHMR-GDBMZVCRSA-N
XLogP0.51
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic 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

2-[(3S,4R)-4-[(2-ethoxypyridine-3-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91783970
2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91768212
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-pyrrolidin-1-ylbenzamide
CID 91767668
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
2-[(3S,4R)-4-[(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91793884
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-[(3S,4R)-4-[[2-(2-hydroxyethyl)pyrazole-3-carbonyl]amino]oxan-3-yl]oxyacetic acid
CID 91784869
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
CID 91785227
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid (CID 91793018) is 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid is O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid?
The InChIKey is OYTWYQMIIHOHMR-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N2O6/c21-17(22)12-26-16-11-25-8-5-14(16)19-18(23)13-3-1-2-4-15(13)20-6-9-24-10-7-20/h1-4,14,16H,5-12H2,(H,19,23)(H,21,22)/t14-,16-/m1/s1.
What are the key properties of 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid?
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid has a molecular weight of 364.40 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid is sourced from PubChem (CID 91793018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).