2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid

C17H22N2O6 — CID 164883501

IUPAC2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
SMILESCN1CCO[C@@H](CC(=O)N2CC(Oc3cccc(O)c3C(=O)O)C2)C1
InChIInChI=1S/C17H22N2O6/c1-18-5-6-24-11(8-18)7-15(21)19-9-12(10-19)25-14-4-2-3-13(20)16(14)17(22)23/h2-4,11-12,20H,5-10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyJUCRWORFJJEWQI-NSHDSACASA-N
MW350.37 g/mol
LogP0.40
Rot. Bonds5

About 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid

2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid (PubChem CID 164883501) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
PubChem CID164883501
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
SMILESCN1CCO[C@@H](CC(=O)N2CC(Oc3cccc(O)c3C(=O)O)C2)C1
InChIInChI=1S/C17H22N2O6/c1-18-5-6-24-11(8-18)7-15(21)19-9-12(10-19)25-14-4-2-3-13(20)16(14)17(22)23/h2-4,11-12,20H,5-10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyJUCRWORFJJEWQI-NSHDSACASA-N
XLogP0.40
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic 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

3-[(1S,2R)-2-boronocyclopropyl]-2-hydroxy-6-[1-[2-[(2R)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
CID 156730249
(2R,4S)-5,5-dihydroxy-9-[1-[2-[(2R)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxy-5-boranuidatricyclo[5.4.0.02,4]undeca-1(7),8,10-triene-8-carboxylic acid
CID 164945247
(2R,5R)-6,6-dihydroxy-10-[1-[2-[(2R)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxy-7-oxa-6-boranuidatricyclo[6.4.0.02,5]dodeca-1(8),3,9,11-tetraene-9-carboxylic acid
CID 174039187
disodium bis((2S,4R)-5,5-dihydroxy-9-[1-[2-[(2R)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxy-5-boranuidatricyclo[5.4.0.02,4]undeca-1(7),8,10-triene-8-carboxylic acid)
CID 175842912
2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601083
2-hydroxy-6-[1-(2-piperazin-2-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601073
2-(4-methylmorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 69087752
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
CID 155601035
2-[1-[(2S)-2-amino-2-(deuteriomethyl)-3-hydroxypropanoyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601076
2-[1-[2-[4-(carboxymethyl)triazol-1-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601077
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid?
The IUPAC name of 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid (CID 164883501) is 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid.
What is the SMILES notation for 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid?
The canonical SMILES for 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid is CN1CCO[C@@H](CC(=O)N2CC(Oc3cccc(O)c3C(=O)O)C2)C1.
What is the InChIKey of 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid?
The InChIKey is JUCRWORFJJEWQI-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2O6/c1-18-5-6-24-11(8-18)7-15(21)19-9-12(10-19)25-14-4-2-3-13(20)16(14)17(22)23/h2-4,11-12,20H,5-10H2,1H3,(H,22,23)/t11-/m0/s1.
What are the key properties of 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid?
2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid has a molecular weight of 350.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid is sourced from PubChem (CID 164883501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).