4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid

C19H20N2O5 — CID 91782980

IUPAC4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
SMILESO=C(Cc1ccccn1)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O5/c22-18(11-14-3-1-2-9-20-14)21-16-12-25-10-8-17(16)26-15-6-4-13(5-7-15)19(23)24/h1-7,9,16-17H,8,10-12H2,(H,21,22)(H,23,24)/t16-,17-/m1/s1
InChIKeyMFEBFRUEBCZJEX-IAGOWNOFSA-N
MW356.38 g/mol
LogP1.67
Rot. Bonds6

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

4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid (PubChem CID 91782980) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
PubChem CID91782980
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
SMILESO=C(Cc1ccccn1)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O5/c22-18(11-14-3-1-2-9-20-14)21-16-12-25-10-8-17(16)26-15-6-4-13(5-7-15)19(23)24/h1-7,9,16-17H,8,10-12H2,(H,21,22)(H,23,24)/t16-,17-/m1/s1
InChIKeyMFEBFRUEBCZJEX-IAGOWNOFSA-N
XLogP1.67
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
CID 91765912
4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid
CID 91783137
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
4-[(3R,4R)-3-[(3-fluoro-4-pyridinyl)amino]oxan-4-yl]oxybenzoic acid
CID 91792650
2-phenylmethoxy-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91761107
4-[(3S,4R)-4-(4,4,4-trifluorobutanoylamino)oxan-3-yl]oxybenzoic acid
CID 91779540
4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
CID 156608507
4-[(3R,4R)-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]oxan-4-yl]oxybenzoic acid
CID 91788278
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid?
The IUPAC name of 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid (CID 91782980) is 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid is O=C(Cc1ccccn1)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid?
The InChIKey is MFEBFRUEBCZJEX-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-18(11-14-3-1-2-9-20-14)21-16-12-25-10-8-17(16)26-15-6-4-13(5-7-15)19(23)24/h1-7,9,16-17H,8,10-12H2,(H,21,22)(H,23,24)/t16-,17-/m1/s1.
What are the key properties of 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid?
4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid has a molecular weight of 356.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid is sourced from PubChem (CID 91782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).