4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid

C15H20N2O7S — CID 91765912

IUPAC4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
SMILESCS(=O)(=O)NCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O7S/c1-25(21,22)16-8-14(18)17-12-9-23-7-6-13(12)24-11-4-2-10(3-5-11)15(19)20/h2-5,12-13,16H,6-9H2,1H3,(H,17,18)(H,19,20)/t12-,13-/m1/s1
InChIKeyHFUJCGWWOJIHRM-CHWSQXEVSA-N
MW372.40 g/mol
LogP-0.41
Rot. Bonds7

About 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid

4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid (PubChem CID 91765912) has the molecular formula C15H20N2O7S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
PubChem CID91765912
Molecular FormulaC15H20N2O7S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
SMILESCS(=O)(=O)NCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O7S/c1-25(21,22)16-8-14(18)17-12-9-23-7-6-13(12)24-11-4-2-10(3-5-11)15(19)20/h2-5,12-13,16H,6-9H2,1H3,(H,17,18)(H,19,20)/t12-,13-/m1/s1
InChIKeyHFUJCGWWOJIHRM-CHWSQXEVSA-N
XLogP-0.41
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid with MolForge

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Related Compounds

4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
CID 91782980
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
CID 91789098
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955
4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
CID 156608507
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
4-[(3S,4R)-4-(4,4,4-trifluorobutanoylamino)oxan-3-yl]oxybenzoic acid
CID 91779540
4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid
CID 91783137
4-[(3R,4R)-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]oxan-4-yl]oxybenzoic acid
CID 91788278
4-[(3R,4R)-3-[(3-fluoro-4-pyridinyl)amino]oxan-4-yl]oxybenzoic acid
CID 91792650
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid?
The IUPAC name of 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid (CID 91765912) is 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid is CS(=O)(=O)NCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid?
The InChIKey is HFUJCGWWOJIHRM-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20N2O7S/c1-25(21,22)16-8-14(18)17-12-9-23-7-6-13(12)24-11-4-2-10(3-5-11)15(19)20/h2-5,12-13,16H,6-9H2,1H3,(H,17,18)(H,19,20)/t12-,13-/m1/s1.
What are the key properties of 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid?
4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid has a molecular weight of 372.40 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid is sourced from PubChem (CID 91765912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).